S-methyl (1S,2R)-2-(1-methylindol-3-yl)-5-oxidanylidene-cyclopentane-1-carbothioate

Systemtic Name: S-methyl (1S,2R)-2-(1-methylindol-3-yl)-5-oxidanylidene-cyclopentane-1-carbothioate Openeye Name: S-methyl (1S,2R)-2-(1-methylindol-3-yl)-5-oxo-cyclopentanecarbothioate CAS Name: (1S,2R)-2-(1-methyl-3-indolyl)-5-oxo-1-cyclopentanecarbothioic acid S-methyl ester IUPAC Name: S-methyl (1S,2R)-2-(1-methylindol-3-yl)-5-oxocyclopentane-1-carbothioate Traditional Name: (1S,5R)-2-keto-5-(1-methylindol-3-yl)cyclopentanecarbothioic acid S-methyl ester Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3CCC(=O)C3C(=O)SC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)[C@@H]3CCC(=O)[C@H]3C(=O)SC

InChI

InChI=1S/C16H17NO2S/c1-17-9-12(10-5-3-4-6-13(10)17)11-7-8-14(18)15(11)16(19)20-2/h3-6,9,11,15H,7-8H2,1-2H3/t11-,15-/m0/s1