methyl 2-methyl-1,1-bis(oxidanylidene)-3H-1$l^{6},2-benzothiazepine-9-carboxylate

Systemtic Name: methyl 2-methyl-1,1-bis(oxidanylidene)-3H-1$l^{6},2-benzothiazepine-9-carboxylate Openeye Name: methyl 2-methyl-1,1-dioxo-3H-1$l^{6},2-benzothiazepine-9-carboxylate CAS Name: 2-methyl-1,1-dioxo-3H-1$l^{6},2-benzothiazepine-9-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-1,1-dioxo-3H-1$l^{6},2-benzothiazepine-9-carboxylate Traditional Name: 1,1-diketo-2-methyl-3H-1$l^{6},2-benzothiazepine-9-carboxylic acid methyl ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=CC2=C(S1(=O)=O)C(=CC=C2)C(=O)OC

Isomeric SMILES

CN1CC=CC2=C(S1(=O)=O)C(=CC=C2)C(=O)OC

InChI

InChI=1S/C12H13NO4S/c1-13-8-4-6-9-5-3-7-10(12(14)17-2)11(9)18(13,15)16/h3-7H,8H2,1-2H3