methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2,4-dimethylphenoxy)-1-oxobutyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(2,4-dimethylphenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C25H27NO4S/c1-16-12-13-20(17(2)15-16)30-14-8-11-21(27)26-24-23(25(28)29-4)22(18(3)31-24)19-9-6-5-7-10-19/h5-7,9-10,12-13,15H,8,11,14H2,1-4H3,(H,26,27)