methyl 5-aminocarbonyl-4-methyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-4-methyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[(1-oxo-2-phenylbutyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-4-methyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC

InChI

InChI=1S/C18H20N2O4S/c1-4-12(11-8-6-5-7-9-11)16(22)20-17-13(18(23)24-3)10(2)14(25-17)15(19)21/h5-9,12H,4H2,1-3H3,(H2,19,21)(H,20,22)