methyl 9-azanyl-6-cyano-7-(3-methoxy-4-oxidanyl-phenyl)-11-oxidanylidene-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate

Systemtic Name: methyl 9-azanyl-6-cyano-7-(3-methoxy-4-oxidanyl-phenyl)-11-oxidanylidene-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate Openeye Name: methyl 9-amino-6-cyano-7-(4-hydroxy-3-methoxy-phenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate CAS Name: 9-amino-6-cyano-7-(4-hydroxy-3-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylic acid methyl ester IUPAC Name: methyl 9-amino-6-cyano-7-(4-hydroxy-3-methoxyphenyl)-11-oxo-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylate Traditional Name: 9-amino-6-cyano-7-(4-hydroxy-3-methoxy-phenyl)-11-keto-7H-pyrido[2,1-b][1,3]benzothiazine-8-carboxylic acid methyl ester Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(=C3N(C(=C2C(=O)OC)N)C(=O)C4=CC=CC=C4S3)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(=C3N(C(=C2C(=O)OC)N)C(=O)C4=CC=CC=C4S3)C#N)O

InChI

InChI=1S/C22H17N3O5S/c1-29-15-9-11(7-8-14(15)26)17-13(10-23)21-25(19(24)18(17)22(28)30-2)20(27)12-5-3-4-6-16(12)31-21/h3-9,17,26H,24H2,1-2H3