[2-methyl-4-[(Z)-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-5-(phosphonooxymethyl)pyridin-3-yl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate

Systemtic Name: [2-methyl-4-[(Z)-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-5-(phosphonooxymethyl)pyridin-3-yl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate Openeye Name: [2-methyl-4-[(Z)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-5-(phosphonooxymethyl)-3-pyridyl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate CAS Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid [2-methyl-4-[(Z)-(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-5-(phosphonooxymethyl)-3-pyridinyl] ester IUPAC Name: [2-methyl-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-5-(phosphonooxymethyl)pyridin-3-yl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate Traditional Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid [4-[(Z)-(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methyl-5-(phosphonooxymethyl)-3-pyridyl] ester Formula: C31H37N2O7PS2 MolecularWeight: 644.738441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)OC2=C(C(=CN=C2C)COP(=O)(O)O)C=C3C(=O)NC(=S)S3)C)C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)OC2=C(C(=CN=C2C)COP(=O)(O)O)/C=C\3/C(=O)NC(=S)S3)/C)/C

InChI

InChI=1S/C31H37N2O7PS2/c1-19(12-13-25-21(3)11-8-14-31(25,5)6)9-7-10-20(2)15-27(34)40-28-22(4)32-17-23(18-39-41(36,37)38)24(28)16-26-29(35)33-30(42)43-26/h7,9-10,12-13,15-17H,8,11,14,18H2,1-6H3,(H,33,35,42)(H2,36,37,38)/b10-7+,13-12+,19-9+,20-15+,26-16-