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

Systemtic Name: 2-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]benzoic acid Openeye Name: 2-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]benzoic acid CAS Name: 2-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]benzoic acid Traditional Name: 2-[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]benzoic acid Formula: C28H20N2O3S MolecularWeight: 464.535

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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=C4C5=CC=CC=C5C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C28H20N2O3S/c1-17-10-15-24-25(16-17)34-27(30-24)18-11-13-19(14-12-18)29-26(31)22-8-4-2-6-20(22)21-7-3-5-9-23(21)28(32)33/h2-16H,1H3,(H,29,31)(H,32,33)