ethyl 4-methyl-5-(phenylcarbamoyl)-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-(phenylcarbamoyl)-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(phenylcarbamoyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-4-methyl-2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(phenylcarbamoyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-(phenylcarbamoyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C21H25N3O4S/c1-3-28-21(27)17-14(2)18(19(26)22-15-9-5-4-6-10-15)29-20(17)23-16(25)13-24-11-7-8-12-24/h4-6,9-10H,3,7-8,11-13H2,1-2H3,(H,22,26)(H,23,25)/p+1