3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-methoxyphenyl)propanoic acid

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-methoxyphenyl)propanoic acid Openeye Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(4-methoxyphenyl)propionic acid Formula: C19H16ClNO4S MolecularWeight: 389.85264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H16ClNO4S/c1-25-12-8-6-11(7-9-12)14(10-16(22)23)21-19(24)18-17(20)13-4-2-3-5-15(13)26-18/h2-9,14H,10H2,1H3,(H,21,24)(H,22,23)