3-(1,2-benzothiazol-3-ylcarbonylamino)-4-methyl-benzoic acid

Systemtic Name: 3-(1,2-benzothiazol-3-ylcarbonylamino)-4-methyl-benzoic acid Openeye Name: 3-(1,2-benzothiazole-3-carbonylamino)-4-methyl-benzoic acid CAS Name: 3-[[1,2-benzothiazol-3-yl(oxo)methyl]amino]-4-methylbenzoic acid IUPAC Name: 3-(1,2-benzothiazole-3-carbonylamino)-4-methylbenzoic acid Traditional Name: 3-(1,2-benzothiazole-3-carbonylamino)-4-methyl-benzoic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=NSC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=NSC3=CC=CC=C32

InChI

InChI=1S/C16H12N2O3S/c1-9-6-7-10(16(20)21)8-12(9)17-15(19)14-11-4-2-3-5-13(11)22-18-14/h2-8H,1H3,(H,17,19)(H,20,21)