4-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]phenyl]-4-keto-butyric acid Formula: C19H14ClNO4S MolecularWeight: 387.83676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=C(C=C3)C(=O)CCC(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=C(C=C3)C(=O)CCC(=O)O)Cl

InChI

InChI=1S/C19H14ClNO4S/c20-17-13-3-1-2-4-15(13)26-18(17)19(25)21-12-7-5-11(6-8-12)14(22)9-10-16(23)24/h1-8H,9-10H2,(H,21,25)(H,23,24)