4-[(3-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxylate

Systemtic Name: 4-[(3-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxylate Openeye Name: 4-(m-tolylmethyl)-3-oxo-1,4-benzothiazine-6-carboxylate CAS Name: 4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylate IUPAC Name: 4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4-(3-methylbenzyl)-1,4-benzothiazine-6-carboxylate Formula: C17H14NO3S- MolecularWeight: 312.36296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H15NO3S/c1-11-3-2-4-12(7-11)9-18-14-8-13(17(20)21)5-6-15(14)22-10-16(18)19/h2-8H,9-10H2,1H3,(H,20,21)/p-1