4-(carboxymethyl)-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-7-carboxylic acid

Systemtic Name: 4-(carboxymethyl)-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-7-carboxylic acid Openeye Name: 4-(carboxymethyl)-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazine-7-carboxylic acid CAS Name: 4-(carboxymethyl)-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazine-7-carboxylic acid IUPAC Name: 4-(carboxymethyl)-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazine-7-carboxylic acid Traditional Name: 4-(carboxymethyl)-3-keto-2-p-anisyl-1,4-benzothiazine-7-carboxylic acid Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2C(=O)N(C3=C(S2)C=C(C=C3)C(=O)O)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2C(=O)N(C3=C(S2)C=C(C=C3)C(=O)O)CC(=O)O

InChI

InChI=1S/C19H17NO6S/c1-26-13-5-2-11(3-6-13)8-16-18(23)20(10-17(21)22)14-7-4-12(19(24)25)9-15(14)27-16/h2-7,9,16H,8,10H2,1H3,(H,21,22)(H,24,25)