2-[(E,3Z)-3-[3-[(Z)-(5-cyclohexyloxysulfanyl-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-5-methyl-cyclohex-2-en-1-ylidene]prop-1-enyl]-3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E,3Z)-3-[3-[(Z)-(5-cyclohexyloxysulfanyl-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-5-methyl-cyclohex-2-en-1-ylidene]prop-1-enyl]-3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E,3Z)-3-[3-[(Z)-[5-(cyclohexoxysulfanyl)-3-methyl-1,3-benzothiazol-2-ylidene]methyl]-5-methyl-cyclohex-2-en-1-ylidene]prop-1-enyl]-3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-3-ium CAS Name: (2Z)-2-[[(3Z)-3-[(E)-3-(3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-5-methyl-1-cyclohexenyl]methylidene]-3-methyl-1,3-benzothiazole-5-sulfenic acid cyclohexyl ester IUPAC Name: 2-[(E,3Z)-3-[3-[(Z)-(5-cyclohexyloxysulfanyl-3-methyl-1,3-benzothiazol-2-ylidene)methyl]-5-methylcyclohex-2-en-1-ylidene]prop-1-enyl]-3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E,3Z)-3-[3-[(Z)-[5-(cyclohexoxythio)-3-methyl-1,3-benzothiazol-2-ylidene]methyl]-5-methyl-cyclohex-2-en-1-ylidene]prop-1-enyl]-3-ethyl-6-methoxy-5-methyl-1,3-benzothiazol-3-ium Formula: C36H43N2O2S3+ MolecularWeight: 631.93382

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C(=C2)OC)C)C=CC=C3CC(CC(=C3)C=C4N(C5=C(S4)C=CC(=C5)SOC6CCCCC6)C)C

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C(=C2)OC)C)/C=C/C=C\3/CC(CC(=C3)/C=C\4/N(C5=C(S4)C=CC(=C5)SOC6CCCCC6)C)C

InChI

InChI=1S/C36H43N2O2S3/c1-6-38-31-19-25(3)32(39-5)23-34(31)42-35(38)14-10-11-26-17-24(2)18-27(20-26)21-36-37(4)30-22-29(15-16-33(30)41-36)43-40-28-12-8-7-9-13-28/h10-11,14-16,19-24,28H,6-9,12-13,17-18H2,1-5H3/q+1