ethyl 6-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(3-chlorobenzothiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(3-chlorobenzothiophene-2-carbonyl)piperazino]nicotinic acid ethyl ester Formula: C21H20ClN3O3S MolecularWeight: 429.9198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-2-28-21(27)14-7-8-17(23-13-14)24-9-11-25(12-10-24)20(26)19-18(22)15-5-3-4-6-16(15)29-19/h3-8,13H,2,9-12H2,1H3