methyl 2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[4-(4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-4-(2-thienyl)thiophene-3-carboxylic acid methyl ester Formula: C22H22ClNO4S2 MolecularWeight: 463.99738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCCCC(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C22H22ClNO4S2/c1-13-10-15(11-14(2)20(13)23)28-8-4-7-18(25)24-21-19(22(26)27-3)16(12-30-21)17-6-5-9-29-17/h5-6,9-12H,4,7-8H2,1-3H3,(H,24,25)