methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2,4-dimethylphenoxy)-1-oxobutyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[4-(2,4-dimethylphenoxy)butanoylamino]-4-(2-thienyl)thiophene-3-carboxylic acid methyl ester Formula: C22H23NO4S2 MolecularWeight: 429.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OC)C

InChI

InChI=1S/C22H23NO4S2/c1-14-8-9-17(15(2)12-14)27-10-4-7-19(24)23-21-20(22(25)26-3)16(13-29-21)18-6-5-11-28-18/h5-6,8-9,11-13H,4,7,10H2,1-3H3,(H,23,24)