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

Systemtic Name: ethyl (3R)-1,1-bis(oxidanylidene)-3-(phenylmethoxymethyl)-4,5-dihydro-3H-1,2-thiazepine-2-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(CCC=CS1(=O)=O)COCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N1[C@H](CCC=CS1(=O)=O)COCC2=CC=CC=C2

InChI

InChI=1S/C16H21NO5S/c1-2-22-16(18)17-15(10-6-7-11-23(17,19)20)13-21-12-14-8-4-3-5-9-14/h3-5,7-9,11,15H,2,6,10,12-13H2,1H3/t15-/m1/s1