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

Systemtic Name: S-methyl (1S,2S)-1-methyl-2-(1-methylindol-3-yl)-5-oxidanylidene-cyclopentane-1-carbothioate Openeye Name: S-methyl (1S,2S)-1-methyl-2-(1-methylindol-3-yl)-5-oxo-cyclopentanecarbothioate CAS Name: (1S,2S)-1-methyl-2-(1-methyl-3-indolyl)-5-oxo-1-cyclopentanecarbothioic acid S-methyl ester IUPAC Name: S-methyl (1S,2S)-1-methyl-2-(1-methylindol-3-yl)-5-oxocyclopentane-1-carbothioate Traditional Name: (1S,5S)-2-keto-1-methyl-5-(1-methylindol-3-yl)cyclopentanecarbothioic acid S-methyl ester Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1=O)C2=CN(C3=CC=CC=C32)C)C(=O)SC

Isomeric SMILES

C[C@@]1([C@@H](CCC1=O)C2=CN(C3=CC=CC=C32)C)C(=O)SC

InChI

InChI=1S/C17H19NO2S/c1-17(16(20)21-3)13(8-9-15(17)19)12-10-18(2)14-7-5-4-6-11(12)14/h4-7,10,13H,8-9H2,1-3H3/t13-,17-/m0/s1