methyl 2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]benzoate

Systemtic Name: methyl 2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]benzoate Openeye Name: methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]benzoate CAS Name: 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]benzoate Traditional Name: 2-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]benzoic acid methyl ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2CCC3=CC=CC=C3NC2=O

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2CCC3=CC=CC=C3NC2=O

InChI

InChI=1S/C18H17NO3S/c1-22-18(21)13-7-3-5-9-15(13)23-16-11-10-12-6-2-4-8-14(12)19-17(16)20/h2-9,16H,10-11H2,1H3,(H,19,20)