ethyl 1-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanylcarbothioylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanylcarbothioylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanylcarbothioylpiperidine-4-carboxylate CAS Name: 1-[[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]thio]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylcarbothioylpiperidine-4-carboxylate Traditional Name: 1-[[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]thio]carbothioylisonipecotic acid ethyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)SCC(=O)C2=C(NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)SCC(=O)C2=C(NC3=CC=CC=C32)C

InChI

InChI=1S/C20H24N2O3S2/c1-3-25-19(24)14-8-10-22(11-9-14)20(26)27-12-17(23)18-13(2)21-16-7-5-4-6-15(16)18/h4-7,14,21H,3,8-12H2,1-2H3