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

Systemtic Name: dimethyl 2-[[3-[(E)-5-ethoxy-2-methyl-5-oxidanylidene-pent-3-en-2-yl]-2-ethylsulfanyl-indol-3-yl]methyl]propanedioate Openeye Name: dimethyl 2-[[3-[(E)-4-ethoxy-1,1-dimethyl-4-oxo-but-2-enyl]-2-ethylsulfanyl-indol-3-yl]methyl]propanedioate CAS Name: 2-[[3-[(E)-5-ethoxy-2-methyl-5-oxopent-3-en-2-yl]-2-(ethylthio)-3-indolyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[3-[(E)-5-ethoxy-2-methyl-5-oxopent-3-en-2-yl]-2-ethylsulfanylindol-3-yl]methyl]propanedioate Traditional Name: 2-[[3-[(E)-4-ethoxy-4-keto-1,1-dimethyl-but-2-enyl]-2-(ethylthio)indol-3-yl]methyl]malonic acid dimethyl ester Formula: C24H31NO6S MolecularWeight: 461.57104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO6S/c1-7-31-19(26)13-14-23(3,4)24(15-16(20(27)29-5)21(28)30-6)17-11-9-10-12-18(17)25-22(24)32-8-2/h9-14,16H,7-8,15H2,1-6H3/b14-13+