methyl 3-(phenylmethyl)-2-sulfanylidene-4,5,6,11-tetrahydro-1H-azocino[4,5-b]indole-1-carboxylate

Systemtic Name: methyl 3-(phenylmethyl)-2-sulfanylidene-4,5,6,11-tetrahydro-1H-azocino[4,5-b]indole-1-carboxylate Openeye Name: methyl 3-benzyl-2-thioxo-4,5,6,11-tetrahydro-1H-azocino[4,5-b]indole-1-carboxylate CAS Name: 3-(phenylmethyl)-2-sulfanylidene-4,5,6,11-tetrahydro-1H-azocino[4,5-b]indole-1-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-2-sulfanylidene-4,5,6,11-tetrahydro-1H-azocino[4,5-b]indole-1-carboxylate Traditional Name: 3-benzyl-2-thioxo-4,5,6,11-tetrahydro-1H-azocin[4,5-b]indole-1-carboxylic acid methyl ester Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=C(CCCN(C1=S)CC3=CC=CC=C3)C4=CC=CC=C4N2

Isomeric SMILES

COC(=O)C1C2=C(CCCN(C1=S)CC3=CC=CC=C3)C4=CC=CC=C4N2

InChI

InChI=1S/C22H22N2O2S/c1-26-22(25)19-20-17(16-10-5-6-12-18(16)23-20)11-7-13-24(21(19)27)14-15-8-3-2-4-9-15/h2-6,8-10,12,19,23H,7,11,13-14H2,1H3