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

Systemtic Name: dimethyl 2-[[3-[(E)-5-ethoxy-5-oxidanylidene-2-phenyl-pent-3-en-2-yl]-2-ethylsulfanyl-indol-3-yl]methyl]propanedioate Openeye Name: dimethyl 2-[[3-[(E)-4-ethoxy-1-methyl-4-oxo-1-phenyl-but-2-enyl]-2-ethylsulfanyl-indol-3-yl]methyl]propanedioate CAS Name: 2-[[3-[(E)-5-ethoxy-5-oxo-2-phenylpent-3-en-2-yl]-2-(ethylthio)-3-indolyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[3-[(E)-5-ethoxy-5-oxo-2-phenylpent-3-en-2-yl]-2-ethylsulfanylindol-3-yl]methyl]propanedioate Traditional Name: 2-[[3-[(E)-4-ethoxy-4-keto-1-methyl-1-phenyl-but-2-enyl]-2-(ethylthio)indol-3-yl]methyl]malonic acid dimethyl ester Formula: C29H33NO6S MolecularWeight: 523.64042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C)(C1=CC=CC=C1)C2(C3=CC=CC=C3N=C2SCC)CC(C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)/C=C/C(C)(C1=CC=CC=C1)C2(C3=CC=CC=C3N=C2SCC)CC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C29H33NO6S/c1-6-36-24(31)17-18-28(3,20-13-9-8-10-14-20)29(19-21(25(32)34-4)26(33)35-5)22-15-11-12-16-23(22)30-27(29)37-7-2/h8-18,21H,6-7,19H2,1-5H3/b18-17+