methyl 2-[(3-chlorophenyl)carbonylamino]-4-(4-propoxyphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-chlorophenyl)carbonylamino]-4-(4-propoxyphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(3-chlorobenzoyl)amino]-4-(4-propoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]amino]-4-(4-propoxyphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chlorobenzoyl)amino]-4-(4-propoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[(3-chlorobenzoyl)amino]-4-(4-propoxyphenyl)thiophene-3-carboxylic acid methyl ester Formula: C22H20ClNO4S MolecularWeight: 429.9165

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H20ClNO4S/c1-3-11-28-17-9-7-14(8-10-17)18-13-29-21(19(18)22(26)27-2)24-20(25)15-5-4-6-16(23)12-15/h4-10,12-13H,3,11H2,1-2H3,(H,24,25)