methyl 2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22ClNO4S MolecularWeight: 443.94308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H22ClNO4S/c1-15-13-17(24)10-11-19(15)29-12-6-9-20(26)25-22-21(23(27)28-2)18(14-30-22)16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14H,6,9,12H2,1-2H3,(H,25,26)