dimethyl 2-[[3-(1-ethoxy-1-oxidanylidene-4,4-diphenyl-but-3-en-2-yl)-2-ethylsulfanyl-indol-3-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[3-(1-ethoxy-1-oxidanylidene-4,4-diphenyl-but-3-en-2-yl)-2-ethylsulfanyl-indol-3-yl]methyl]propanedioate Openeye Name: dimethyl 2-[[3-(1-ethoxycarbonyl-3,3-diphenyl-allyl)-2-ethylsulfanyl-indol-3-yl]methyl]propanedioate CAS Name: 2-[[3-(1-ethoxy-1-oxo-4,4-diphenylbut-3-en-2-yl)-2-(ethylthio)-3-indolyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[3-(1-ethoxy-1-oxo-4,4-diphenylbut-3-en-2-yl)-2-ethylsulfanylindol-3-yl]methyl]propanedioate Traditional Name: 2-[[3-(1-carbethoxy-3,3-diphenyl-allyl)-2-(ethylthio)indol-3-yl]methyl]malonic acid dimethyl ester Formula: C34H35NO6S MolecularWeight: 585.7098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=C(C1=CC=CC=C1)C2=CC=CC=C2)C3(C4=CC=CC=C4N=C3SCC)CC(C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C(C=C(C1=CC=CC=C1)C2=CC=CC=C2)C3(C4=CC=CC=C4N=C3SCC)CC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C34H35NO6S/c1-5-41-32(38)28(21-25(23-15-9-7-10-16-23)24-17-11-8-12-18-24)34(22-26(30(36)39-3)31(37)40-4)27-19-13-14-20-29(27)35-33(34)42-6-2/h7-21,26,28H,5-6,22H2,1-4H3