dimethyl 2-[[3-[(E)-5-ethoxy-5-oxidanylidene-pent-3-en-2-yl]-2-ethylsulfanyl-indol-3-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[3-[(E)-5-ethoxy-5-oxidanylidene-pent-3-en-2-yl]-2-ethylsulfanyl-indol-3-yl]methyl]propanedioate Openeye Name: dimethyl 2-[[3-[(E)-4-ethoxy-1-methyl-4-oxo-but-2-enyl]-2-ethylsulfanyl-indol-3-yl]methyl]propanedioate CAS Name: 2-[[3-[(E)-5-ethoxy-5-oxopent-3-en-2-yl]-2-(ethylthio)-3-indolyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[3-[(E)-5-ethoxy-5-oxopent-3-en-2-yl]-2-ethylsulfanylindol-3-yl]methyl]propanedioate Traditional Name: 2-[[3-[(E)-4-ethoxy-4-keto-1-methyl-but-2-enyl]-2-(ethylthio)indol-3-yl]methyl]malonic acid dimethyl ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C)C1(C2=CC=CC=C2N=C1SCC)CC(C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)/C=C/C(C)C1(C2=CC=CC=C2N=C1SCC)CC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H29NO6S/c1-6-30-19(25)13-12-15(3)23(14-16(20(26)28-4)21(27)29-5)17-10-8-9-11-18(17)24-22(23)31-7-2/h8-13,15-16H,6-7,14H2,1-5H3/b13-12+