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

Systemtic Name: (3-methylphenyl)methyl 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: m-tolylmethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid (3-methylbenzyl) ester Formula: C17H15NO3S MolecularWeight: 313.3709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

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