phenyl (3R)-1,1-bis(oxidanylidene)-3-(phenylmethoxymethyl)-4,5-dihydro-3H-1,2-thiazepine-2-carboxylate

Systemtic Name: phenyl (3R)-1,1-bis(oxidanylidene)-3-(phenylmethoxymethyl)-4,5-dihydro-3H-1,2-thiazepine-2-carboxylate Openeye Name: phenyl (3R)-3-(benzyloxymethyl)-1,1-dioxo-4,5-dihydro-3H-thiazepine-2-carboxylate CAS Name: (3R)-1,1-dioxo-3-(phenylmethoxymethyl)-4,5-dihydro-3H-thiazepine-2-carboxylic acid phenyl ester IUPAC Name: phenyl (3R)-1,1-dioxo-3-(phenylmethoxymethyl)-4,5-dihydro-3H-thiazepine-2-carboxylate Traditional Name: (3R)-3-(benzoxymethyl)-1,1-diketo-4,5-dihydro-3H-thiazepine-2-carboxylic acid phenyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(S(=O)(=O)C=C1)C(=O)OC2=CC=CC=C2)COCC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](N(S(=O)(=O)C=C1)C(=O)OC2=CC=CC=C2)COCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO5S/c22-20(26-19-12-5-2-6-13-19)21-18(11-7-8-14-27(21,23)24)16-25-15-17-9-3-1-4-10-17/h1-6,8-10,12-14,18H,7,11,15-16H2/t18-/m1/s1