2-[2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl]sulfanyl-1,3-benzothiazole-5-carboxylic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl]sulfanyl-1,3-benzothiazole-5-carboxylic acid Openeye Name: 2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanyl-1,3-benzothiazole-5-carboxylic acid CAS Name: 2-[[2-oxo-2-(4-phenylanilino)ethyl]thio]-1,3-benzothiazole-5-carboxylic acid IUPAC Name: 2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanyl-1,3-benzothiazole-5-carboxylic acid Traditional Name: 2-[[2-keto-2-(4-phenylanilino)ethyl]thio]-1,3-benzothiazole-5-carboxylic acid Formula: C22H16N2O3S2 MolecularWeight: 420.50404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O3S2/c25-20(23-17-9-6-15(7-10-17)14-4-2-1-3-5-14)13-28-22-24-18-12-16(21(26)27)8-11-19(18)29-22/h1-12H,13H2,(H,23,25)(H,26,27)