methyl 4-[[5-ethyl-3-(phenethylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[5-ethyl-3-(phenethylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-ethyl-3-(phenethylcarbamoyl)-2-thienyl]carbamoyl]benzoate CAS Name: 4-[[[5-ethyl-3-[oxo-(phenethylamino)methyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-ethyl-3-(phenethylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate Traditional Name: 4-[[5-ethyl-3-(phenethylcarbamoyl)-2-thienyl]carbamoyl]benzoic acid methyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)OC)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)OC)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H24N2O4S/c1-3-19-15-20(22(28)25-14-13-16-7-5-4-6-8-16)23(31-19)26-21(27)17-9-11-18(12-10-17)24(29)30-2/h4-12,15H,3,13-14H2,1-2H3,(H,25,28)(H,26,27)