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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO5S/c1-15(2)12-24-18(20)19-17(10-6-7-11-25(19,21)22)14-23-13-16-8-4-3-5-9-16/h3-5,7-9,11,15,17H,6,10,12-14H2,1-2H3/t17-/m1/s1