[2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-[(3R)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-4,5-dimethyl-3-thiophenecarboxylic acid [2-[(3R)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylic acid [2-[(3R)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C(=C(S2)C)C)C(=O)OCC(=O)N3CCCC(C3)C(=O)N)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C(=C(S2)C)C)C(=O)OCC(=O)N3CCC[C@H](C3)C(=O)N)C

InChI

InChI=1S/C21H27N3O4S/c1-12-7-8-13(2)24(12)20-18(14(3)15(4)29-20)21(27)28-11-17(25)23-9-5-6-16(10-23)19(22)26/h7-8,16H,5-6,9-11H2,1-4H3,(H2,22,26)/t16-/m1/s1