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

Systemtic Name: 2-[(2-propan-2-ylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid Openeye Name: 2-[(2-isopropylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid CAS Name: 2-[oxo-[[2-(propan-2-ylthio)-1,3-benzothiazol-6-yl]amino]methyl]benzoic acid IUPAC Name: 2-[(2-propan-2-ylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid Traditional Name: 2-[[2-(isopropylthio)-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(C)SC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H16N2O3S2/c1-10(2)24-18-20-14-8-7-11(9-15(14)25-18)19-16(21)12-5-3-4-6-13(12)17(22)23/h3-10H,1-2H3,(H,19,21)(H,22,23)