dimethyl 2-[[(3S)-3-[(E,1R)-1-chloranyl-4-ethoxy-4-oxidanylidene-but-2-enyl]-2-ethylsulfanyl-indol-3-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[(3S)-3-[(E,1R)-1-chloranyl-4-ethoxy-4-oxidanylidene-but-2-enyl]-2-ethylsulfanyl-indol-3-yl]methyl]propanedioate Openeye Name: dimethyl 2-[[(3S)-3-[(E,1R)-1-chloro-4-ethoxy-4-oxo-but-2-enyl]-2-ethylsulfanyl-indol-3-yl]methyl]propanedioate CAS Name: 2-[[(3S)-3-[(E,1R)-1-chloro-4-ethoxy-4-oxobut-2-enyl]-2-(ethylthio)-3-indolyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[(3S)-3-[(E,1R)-1-chloro-4-ethoxy-4-oxobut-2-enyl]-2-ethylsulfanylindol-3-yl]methyl]propanedioate Traditional Name: 2-[[(3S)-3-[(E,1R)-1-chloro-4-ethoxy-4-keto-but-2-enyl]-2-(ethylthio)indol-3-yl]methyl]malonic acid dimethyl ester Formula: C22H26ClNO6S MolecularWeight: 467.96294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C=C/[C@H]([C@]1(C2=CC=CC=C2N=C1SCC)CC(C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C22H26ClNO6S/c1-5-30-18(25)12-11-17(23)22(13-14(19(26)28-3)20(27)29-4)15-9-7-8-10-16(15)24-21(22)31-6-2/h7-12,14,17H,5-6,13H2,1-4H3/b12-11+/t17-,22-/m1/s1