(1-cyanoindolizin-2-yl)methyl 2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-2-methyl-4H-1,4-benzothiazine-6-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

Isomeric SMILES

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N

InChI

InChI=1S/C20H15N3O3S/c1-12-19(24)22-16-8-13(5-6-18(16)27-12)20(25)26-11-14-10-23-7-3-2-4-17(23)15(14)9-21/h2-8,10,12H,11H2,1H3,(H,22,24)