2-[(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid Openeye Name: 2-[(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid CAS Name: 2-[oxo-[[2-(phenacylthio)-1,3-benzothiazol-6-yl]amino]methyl]benzoic acid IUPAC Name: 2-[(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid Traditional Name: 2-[[2-(phenacylthio)-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Formula: C23H16N2O4S2 MolecularWeight: 448.51414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H16N2O4S2/c26-19(14-6-2-1-3-7-14)13-30-23-25-18-11-10-15(12-20(18)31-23)24-21(27)16-8-4-5-9-17(16)22(28)29/h1-12H,13H2,(H,24,27)(H,28,29)