[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C19H17BrN2O4S MolecularWeight: 449.31828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C19H17BrN2O4S/c1-11(12-2-5-14(20)6-3-12)21-17(23)9-26-19(25)13-4-7-16-15(8-13)22-18(24)10-27-16/h2-8,11H,9-10H2,1H3,(H,21,23)(H,22,24)