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

Systemtic Name: (phenylmethyl) 2,2-dimethyl-7-oxidanylidene-6-(2-oxidanylidene-3-phenoxy-propyl)-3,4-dihydro-1,4-thiazepine-3-carboxylate Openeye Name: benzyl 2,2-dimethyl-7-oxo-6-(2-oxo-3-phenoxy-propyl)-3,4-dihydro-1,4-thiazepine-3-carboxylate CAS Name: 2,2-dimethyl-7-oxo-6-(2-oxo-3-phenoxypropyl)-3,4-dihydro-1,4-thiazepine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,2-dimethyl-7-oxo-6-(2-oxo-3-phenoxypropyl)-3,4-dihydro-1,4-thiazepine-3-carboxylate Traditional Name: 7-keto-6-(2-keto-3-phenoxy-propyl)-2,2-dimethyl-3,4-dihydro-1,4-thiazepine-3-carboxylic acid benzyl ester Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC=C(C(=O)S1)CC(=O)COC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1(C(NC=C(C(=O)S1)CC(=O)COC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C24H25NO5S/c1-24(2)21(22(27)30-15-17-9-5-3-6-10-17)25-14-18(23(28)31-24)13-19(26)16-29-20-11-7-4-8-12-20/h3-12,14,21,25H,13,15-16H2,1-2H3