3-[(3-chlorophenyl)methyl-(2-methoxyethanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(3-chlorophenyl)methyl-(2-methoxyethanoyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(3-chlorophenyl)methyl-(2-methoxyacetyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(3-chlorophenyl)methyl-(2-methoxy-1-oxoethyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(3-chlorophenyl)methyl-(2-methoxyacetyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(3-chlorobenzyl)-(2-methoxyacetyl)amino]-5-phenyl-2-thenoic acid Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N(CC1=CC(=CC=C1)Cl)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COCC(=O)N(CC1=CC(=CC=C1)Cl)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H18ClNO4S/c1-27-13-19(24)23(12-14-6-5-9-16(22)10-14)17-11-18(28-20(17)21(25)26)15-7-3-2-4-8-15/h2-11H,12-13H2,1H3,(H,25,26)