2-methylsulfanylethyl (7Z)-2-oxidanylidene-8-phenyl-1-(phenylmethyl)-3,4,5,6-tetrahydroazocine-6-carboxylate

Systemtic Name: 2-methylsulfanylethyl (7Z)-2-oxidanylidene-8-phenyl-1-(phenylmethyl)-3,4,5,6-tetrahydroazocine-6-carboxylate Openeye Name: 2-methylsulfanylethyl (7Z)-1-benzyl-2-oxo-8-phenyl-3,4,5,6-tetrahydroazocine-6-carboxylate CAS Name: (7Z)-2-oxo-8-phenyl-1-(phenylmethyl)-3,4,5,6-tetrahydroazocine-6-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (7Z)-1-benzyl-2-oxo-8-phenyl-3,4,5,6-tetrahydroazocine-6-carboxylate Traditional Name: (7Z)-1-benzyl-2-keto-8-phenyl-3,4,5,6-tetrahydroazocine-6-carboxylic acid 2-(methylthio)ethyl ester Formula: C24H27NO3S MolecularWeight: 409.54108

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)C1CCCC(=O)N(C(=C1)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CSCCOC(=O)C/1CCCC(=O)N(/C(=C1)/C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H27NO3S/c1-29-16-15-28-24(27)21-13-8-14-23(26)25(18-19-9-4-2-5-10-19)22(17-21)20-11-6-3-7-12-20/h2-7,9-12,17,21H,8,13-16,18H2,1H3/b22-17-