3-methyl-4-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]benzoic acid

Systemtic Name: 3-methyl-4-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]benzoic acid Openeye Name: 3-methyl-4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoic acid CAS Name: 3-methyl-4-[[1-oxo-3-(3-oxo-1,4-benzothiazin-4-yl)propyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoic acid Traditional Name: 4-[3-(3-keto-1,4-benzothiazin-4-yl)propanoylamino]-3-methyl-benzoic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C19H18N2O4S/c1-12-10-13(19(24)25)6-7-14(12)20-17(22)8-9-21-15-4-2-3-5-16(15)26-11-18(21)23/h2-7,10H,8-9,11H2,1H3,(H,20,22)(H,24,25)