O-methyl [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-methyl [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-methyl [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]thio]methanethioic acid O-methyl ester IUPAC Name: O-methyl [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl]thio]methanethioic acid O-methyl ester Formula: C18H17NO2S2 MolecularWeight: 343.46308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)SCC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31

Isomeric SMILES

COC(=S)SCC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31

InChI

InChI=1S/C18H17NO2S2/c1-21-18(22)23-12-17(20)19-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)19/h2-9H,10-12H2,1H3