ethyl 5-chloranyl-6-[4-(thiophen-2-ylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-6-[4-(thiophen-2-ylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 5-chloro-6-[4-(2-thienylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 5-chloro-6-[4-[oxo-(thiophen-2-ylamino)methyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-6-[4-(thiophen-2-ylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[4-(2-thienylcarbamoyl)piperazino]nicotinic acid ethyl ester Formula: C17H19ClN4O3S MolecularWeight: 394.87576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC=CS3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1)N2CCN(CC2)C(=O)NC3=CC=CS3)Cl

InChI

InChI=1S/C17H19ClN4O3S/c1-2-25-16(23)12-10-13(18)15(19-11-12)21-5-7-22(8-6-21)17(24)20-14-4-3-9-26-14/h3-4,9-11H,2,5-8H2,1H3,(H,20,24)