[6-cyano-4-(2-cyanoimino-1,3-thiazolidin-3-yl)-2,2-dimethyl-3,4-dihydrochromen-3-yl] 2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethanoate

Systemtic Name: [6-cyano-4-(2-cyanoimino-1,3-thiazolidin-3-yl)-2,2-dimethyl-3,4-dihydrochromen-3-yl] 2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethanoate Openeye Name: [6-cyano-4-(2-cyanoiminothiazolidin-3-yl)-2,2-dimethyl-chroman-3-yl] 2-(2-isopropyl-5-methyl-cyclohexoxy)acetate CAS Name: 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetic acid [6-cyano-4-(2-cyanoimino-3-thiazolidinyl)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [6-cyano-4-(2-cyanoimino-1,3-thiazolidin-3-yl)-2,2-dimethyl-3,4-dihydrochromen-3-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate Traditional Name: 2-(2-isopropyl-5-methyl-cyclohexoxy)acetic acid [6-cyano-4-(2-cyanoiminothiazolidin-3-yl)-2,2-dimethyl-chroman-3-yl] ester Formula: C28H36N4O4S MolecularWeight: 524.67484

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(=O)OC2C(C3=C(C=CC(=C3)C#N)OC2(C)C)N4CCSC4=NC#N)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OCC(=O)OC2C(C3=C(C=CC(=C3)C#N)OC2(C)C)N4CCSC4=NC#N)C(C)C

InChI

InChI=1S/C28H36N4O4S/c1-17(2)20-8-6-18(3)12-23(20)34-15-24(33)35-26-25(32-10-11-37-27(32)31-16-30)21-13-19(14-29)7-9-22(21)36-28(26,4)5/h7,9,13,17-18,20,23,25-26H,6,8,10-12,15H2,1-5H3