2,2-dimethyl-5-oxidanylidene-6-(phenylmethoxycarbonylamino)-1,4-thiazepane-3-carboxylic acid

Systemtic Name: 2,2-dimethyl-5-oxidanylidene-6-(phenylmethoxycarbonylamino)-1,4-thiazepane-3-carboxylic acid Openeye Name: 6-(benzyloxycarbonylamino)-2,2-dimethyl-5-oxo-1,4-thiazepane-3-carboxylic acid CAS Name: 2,2-dimethyl-5-oxo-6-(phenylmethoxycarbonylamino)-1,4-thiazepane-3-carboxylic acid IUPAC Name: 2,2-dimethyl-5-oxo-6-(phenylmethoxycarbonylamino)-1,4-thiazepane-3-carboxylic acid Traditional Name: 6-(benzyloxycarbonylamino)-5-keto-2,2-dimethyl-1,4-thiazepane-3-carboxylic acid Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC(=O)C(CS1)NC(=O)OCC2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CC1(C(NC(=O)C(CS1)NC(=O)OCC2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C16H20N2O5S/c1-16(2)12(14(20)21)18-13(19)11(9-24-16)17-15(22)23-8-10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)