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

Systemtic Name: methyl (3S)-2,2-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-3,4-dihydro-1,4-thiazepine-3-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-17(2)14(15(21)23-3)18-10-12(16(22)24-17)19-13(20)9-11-7-5-4-6-8-11/h4-8,10,14,18H,9H2,1-3H3,(H,19,20)/t14-/m0/s1