(4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C21H20N2O4S/c24-19-13-28-18-8-7-16(11-17(18)22-19)21(26)27-12-14-3-5-15(6-4-14)20(25)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12-13H2,(H,22,24)