methyl 3-[cyclopropyl-(2,4-dichlorophenyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[cyclopropyl-(2,4-dichlorophenyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[cyclopropyl-(2,4-dichlorobenzoyl)amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[cyclopropyl-[(2,4-dichlorophenyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[cyclopropyl-(2,4-dichlorobenzoyl)amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[cyclopropyl-(2,4-dichlorobenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C22H17Cl2NO3S MolecularWeight: 446.34628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N(C3CC3)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N(C3CC3)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H17Cl2NO3S/c1-28-22(27)20-18(12-19(29-20)13-5-3-2-4-6-13)25(15-8-9-15)21(26)16-10-7-14(23)11-17(16)24/h2-7,10-12,15H,8-9H2,1H3