dimethyl 2-[[3-[(E)-1-chloranyl-4-ethoxy-4-oxidanylidene-but-2-enyl]-2-propan-2-ylsulfanyl-indol-3-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[3-[(E)-1-chloranyl-4-ethoxy-4-oxidanylidene-but-2-enyl]-2-propan-2-ylsulfanyl-indol-3-yl]methyl]propanedioate Openeye Name: dimethyl 2-[[3-[(E)-1-chloro-4-ethoxy-4-oxo-but-2-enyl]-2-isopropylsulfanyl-indol-3-yl]methyl]propanedioate CAS Name: 2-[[3-[(E)-1-chloro-4-ethoxy-4-oxobut-2-enyl]-2-(propan-2-ylthio)-3-indolyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[3-[(E)-1-chloro-4-ethoxy-4-oxobut-2-enyl]-2-propan-2-ylsulfanylindol-3-yl]methyl]propanedioate Traditional Name: 2-[[3-[(E)-1-chloro-4-ethoxy-4-keto-but-2-enyl]-2-(isopropylthio)indol-3-yl]methyl]malonic acid dimethyl ester Formula: C23H28ClNO6S MolecularWeight: 481.98952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C1(C2=CC=CC=C2N=C1SC(C)C)CC(C(=O)OC)C(=O)OC)Cl

Isomeric SMILES

CCOC(=O)/C=C/C(C1(C2=CC=CC=C2N=C1SC(C)C)CC(C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C23H28ClNO6S/c1-6-31-19(26)12-11-18(24)23(13-15(20(27)29-4)21(28)30-5)16-9-7-8-10-17(16)25-22(23)32-14(2)3/h7-12,14-15,18H,6,13H2,1-5H3/b12-11+