2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]benzoic acid Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H16N2O3S/c1-13-6-11-18-19(12-13)28-21(24-18)14-7-9-15(10-8-14)23-20(25)16-4-2-3-5-17(16)22(26)27/h2-12H,1H3,(H,23,25)(H,26,27)