ethyl 2-[1-(3-pyrrol-1-ylthiophen-2-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[1-(3-pyrrol-1-ylthiophen-2-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)-4-piperidyl]thiazole-4-carboxylate CAS Name: 2-[1-[oxo-[3-(1-pyrrolyl)-2-thiophenyl]methyl]-4-piperidinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[1-(3-pyrrol-1-ylthiophene-2-carbonyl)-4-piperidyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C20H21N3O3S2/c1-2-26-20(25)15-13-28-18(21-15)14-5-10-23(11-6-14)19(24)17-16(7-12-27-17)22-8-3-4-9-22/h3-4,7-9,12-14H,2,5-6,10-11H2,1H3