3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-2-methyl-benzoic acid Openeye Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-2-methyl-benzoic acid CAS Name: 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-2-methylbenzoic acid Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-2-methyl-benzoic acid Formula: C17H12ClNO3S MolecularWeight: 345.80008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)O

InChI

InChI=1S/C17H12ClNO3S/c1-9-10(17(21)22)6-4-7-12(9)19-16(20)15-14(18)11-5-2-3-8-13(11)23-15/h2-8H,1H3,(H,19,20)(H,21,22)