ethyl 4-(4-ethoxyphenyl)-2-[4-(3-methylphenoxy)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-ethoxyphenyl)-2-[4-(3-methylphenoxy)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-ethoxyphenyl)-2-[4-(3-methylphenoxy)butanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-2-[[4-(3-methylphenoxy)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxyphenyl)-2-[4-(3-methylphenoxy)butanoylamino]thiophene-3-carboxylate Traditional Name: 2-[4-(3-methylphenoxy)butanoylamino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=CC=CC(=C3)C

InChI

InChI=1S/C26H29NO5S/c1-4-30-20-13-11-19(12-14-20)22-17-33-25(24(22)26(29)31-5-2)27-23(28)10-7-15-32-21-9-6-8-18(3)16-21/h6,8-9,11-14,16-17H,4-5,7,10,15H2,1-3H3,(H,27,28)