ethyl 4-aminocarbonyl-3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)-5-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)-5-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-carbamoyl-3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)-5-methyl-thiophene-2-carboxylate CAS Name: 4-carbamoyl-3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)-5-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)-5-methylthiophene-2-carboxylate Traditional Name: 4-carbamoyl-5-methyl-3-(1-pyrrolin-1-ium-2-ylamino)thiophene-2-carboxylic acid ethyl ester Formula: C13H18N3O3S+ MolecularWeight: 296.36532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)C)C(=O)N)NC2=[NH+]CCC2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)C)C(=O)N)NC2=[NH+]CCC2

InChI

InChI=1S/C13H17N3O3S/c1-3-19-13(18)11-10(16-8-5-4-6-15-8)9(12(14)17)7(2)20-11/h3-6H2,1-2H3,(H2,14,17)(H,15,16)/p+1