2-[[2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[[2-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]-1,3-benzothiazol-6-yl]amino]methyl]benzoic acid IUPAC Name: 2-[[2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-[[2-keto-2-(4-phenylphenyl)ethyl]thio]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Formula: C29H20N2O4S2 MolecularWeight: 524.6101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C29H20N2O4S2/c32-25(20-12-10-19(11-13-20)18-6-2-1-3-7-18)17-36-29-31-24-15-14-21(16-26(24)37-29)30-27(33)22-8-4-5-9-23(22)28(34)35/h1-16H,17H2,(H,30,33)(H,34,35)