dimethyl 2-[(2Z)-2-(1-heptyl-3,3-dimethyl-5-methylsulfonyl-indol-2-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(2Z)-2-(1-heptyl-3,3-dimethyl-5-methylsulfonyl-indol-2-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[(2Z)-2-(1-heptyl-3,3-dimethyl-5-methylsulfonyl-indolin-2-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[(2Z)-2-(1-heptyl-3,3-dimethyl-5-methylsulfonyl-2-indolylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(2Z)-2-(1-heptyl-3,3-dimethyl-5-methylsulfonylindol-2-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[(2Z)-2-(1-heptyl-5-mesyl-3,3-dimethyl-indolin-2-ylidene)ethylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C27H35NO6S3 MolecularWeight: 565.7649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(C=C(C=C2)S(=O)(=O)C)C(C1=CC=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C

Isomeric SMILES

CCCCCCCN\1C2=C(C=C(C=C2)S(=O)(=O)C)C(/C1=C/C=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C

InChI

InChI=1S/C27H35NO6S3/c1-7-8-9-10-11-16-28-20-13-12-18(37(6,31)32)17-19(20)27(2,3)21(28)14-15-22-35-23(25(29)33-4)24(36-22)26(30)34-5/h12-15,17H,7-11,16H2,1-6H3/b21-14-