propan-2-yl 1,1-bis(oxidanylidene)-2,3,6,7-tetrahydro-1,2-thiazepine-7-carboxylate

Systemtic Name: propan-2-yl 1,1-bis(oxidanylidene)-2,3,6,7-tetrahydro-1,2-thiazepine-7-carboxylate Openeye Name: isopropyl 1,1-dioxo-2,3,6,7-tetrahydrothiazepine-7-carboxylate CAS Name: 1,1-dioxo-2,3,6,7-tetrahydrothiazepine-7-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1,1-dioxo-2,3,6,7-tetrahydrothiazepine-7-carboxylate Traditional Name: 1,1-diketo-2,3,6,7-tetrahydrothiazepine-7-carboxylic acid isopropyl ester Formula: C9H15NO4S MolecularWeight: 233.2847

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CC=CCNS1(=O)=O

Isomeric SMILES

CC(C)OC(=O)C1CC=CCNS1(=O)=O

InChI

InChI=1S/C9H15NO4S/c1-7(2)14-9(11)8-5-3-4-6-10-15(8,12)13/h3-4,7-8,10H,5-6H2,1-2H3