ethyl 5-ethanoyl-4-methyl-2-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[2-[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN2CCCC2C3=CC=CN3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN2CCC[C@@H]2C3=CC=CN3C

InChI

InChI=1S/C21H27N3O4S/c1-5-28-21(27)18-13(2)19(14(3)25)29-20(18)22-17(26)12-24-11-7-9-16(24)15-8-6-10-23(15)4/h6,8,10,16H,5,7,9,11-12H2,1-4H3,(H,22,26)/t16-/m1/s1