methyl (5Z)-3-oxidanylidene-5-phenyl-4-(phenylmethyl)-7,8-dihydro-1,4-thiazocine-7-carboxylate

Systemtic Name: methyl (5Z)-3-oxidanylidene-5-phenyl-4-(phenylmethyl)-7,8-dihydro-1,4-thiazocine-7-carboxylate Openeye Name: methyl (5Z)-4-benzyl-3-oxo-5-phenyl-7,8-dihydro-1,4-thiazocine-7-carboxylate CAS Name: (5Z)-3-oxo-5-phenyl-4-(phenylmethyl)-7,8-dihydro-1,4-thiazocine-7-carboxylic acid methyl ester IUPAC Name: methyl (5Z)-4-benzyl-3-oxo-5-phenyl-7,8-dihydro-1,4-thiazocine-7-carboxylate Traditional Name: (5Z)-4-benzyl-3-keto-5-phenyl-7,8-dihydro-1,4-thiazocine-7-carboxylic acid methyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CSCC(=O)N(C(=C1)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C/1CSCC(=O)N(/C(=C1)/C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21NO3S/c1-25-21(24)18-12-19(17-10-6-3-7-11-17)22(20(23)15-26-14-18)13-16-8-4-2-5-9-16/h2-12,18H,13-15H2,1H3/b19-12-