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

Systemtic Name: tert-butyl (3R)-1,1-bis(oxidanylidene)-3-(phenylmethoxymethyl)-4,5-dihydro-3H-1,2-thiazepine-2-carboxylate Openeye Name: tert-butyl (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 tert-butyl ester IUPAC Name: tert-butyl (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 tert-butyl ester Formula: C18H25NO5S MolecularWeight: 367.4598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CCC=CS1(=O)=O)COCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO5S/c1-18(2,3)24-17(20)19-16(11-7-8-12-25(19,21)22)14-23-13-15-9-5-4-6-10-15/h4-6,8-10,12,16H,7,11,13-14H2,1-3H3/t16-/m1/s1