2-[4-(1,2-benzothiazol-3-ylcarbonylamino)-3-chloranyl-phenyl]ethanoic acid

Systemtic Name: 2-[4-(1,2-benzothiazol-3-ylcarbonylamino)-3-chloranyl-phenyl]ethanoic acid Openeye Name: 2-[4-(1,2-benzothiazole-3-carbonylamino)-3-chloro-phenyl]acetic acid CAS Name: 2-[4-[[1,2-benzothiazol-3-yl(oxo)methyl]amino]-3-chlorophenyl]acetic acid IUPAC Name: 2-[4-(1,2-benzothiazole-3-carbonylamino)-3-chlorophenyl]acetic acid Traditional Name: 2-[4-(1,2-benzothiazole-3-carbonylamino)-3-chloro-phenyl]acetic acid Formula: C16H11ClN2O3S MolecularWeight: 346.78814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2)C(=O)NC3=C(C=C(C=C3)CC(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2)C(=O)NC3=C(C=C(C=C3)CC(=O)O)Cl

InChI

InChI=1S/C16H11ClN2O3S/c17-11-7-9(8-14(20)21)5-6-12(11)18-16(22)15-10-3-1-2-4-13(10)23-19-15/h1-7H,8H2,(H,18,22)(H,20,21)