(phenylmethyl) (3S)-2,2-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-3,4-dihydro-1,4-thiazepine-3-carboxylate

Systemtic Name: (phenylmethyl) (3S)-2,2-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-3,4-dihydro-1,4-thiazepine-3-carboxylate Openeye Name: benzyl (3S)-2,2-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-3,4-dihydro-1,4-thiazepine-3-carboxylate CAS Name: (3S)-2,2-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-3,4-dihydro-1,4-thiazepine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-2,2-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-3,4-dihydro-1,4-thiazepine-3-carboxylate Traditional Name: (3S)-7-keto-2,2-dimethyl-6-[(2-phenylacetyl)amino]-3,4-dihydro-1,4-thiazepine-3-carboxylic acid benzyl ester Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC=C(C(=O)S1)NC(=O)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1([C@@H](NC=C(C(=O)S1)NC(=O)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C23H24N2O4S/c1-23(2)20(21(27)29-15-17-11-7-4-8-12-17)24-14-18(22(28)30-23)25-19(26)13-16-9-5-3-6-10-16/h3-12,14,20,24H,13,15H2,1-2H3,(H,25,26)/t20-/m0/s1