methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 5-[(2-ethoxyanilino)-oxomethyl]-4-methyl-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(2-ethoxyphenyl)carbamoyl]-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 2-(hydrocinnamoylamino)-4-methyl-5-(o-phenetylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)CCC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)CCC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C25H26N2O5S/c1-4-32-19-13-9-8-12-18(19)26-23(29)22-16(2)21(25(30)31-3)24(33-22)27-20(28)15-14-17-10-6-5-7-11-17/h5-13H,4,14-15H2,1-3H3,(H,26,29)(H,27,28)