methyl 4-methyl-5-(phenethylcarbamoyl)-2-(thiophen-2-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-methyl-5-(phenethylcarbamoyl)-2-(thiophen-2-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: methyl 4-methyl-5-(phenethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate CAS Name: 4-methyl-5-[oxo-(phenethylamino)methyl]-2-[[oxo(thiophen-2-yl)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-5-(phenethylcarbamoyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-methyl-5-(phenethylcarbamoyl)-2-(2-thenoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=CS2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=CS2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4S2/c1-13-16(21(26)27-2)20(23-18(24)15-9-6-12-28-15)29-17(13)19(25)22-11-10-14-7-4-3-5-8-14/h3-9,12H,10-11H2,1-2H3,(H,22,25)(H,23,24)