methyl 3-ethanethioyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylate

Systemtic Name: methyl 3-ethanethioyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylate Openeye Name: methyl 3-ethanethioyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylate CAS Name: 3-(1-sulfanylideneethyl)-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylic acid methyl ester IUPAC Name: methyl 3-ethanethioyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylate Traditional Name: 3-thioacetyl-2,4,5,6,7,8-hexahydro-1H-azonin[5,4-b]indole-7-carboxylic acid methyl ester Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)N1CCCC(C2=C(CC1)C3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CC(=S)N1CCCC(C2=C(CC1)C3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C18H22N2O2S/c1-12(23)20-10-5-7-15(18(21)22-2)17-14(9-11-20)13-6-3-4-8-16(13)19-17/h3-4,6,8,15,19H,5,7,9-11H2,1-2H3