methyl 2-[3-oxidanylidene-1-(2-thiophen-2-ylquinolin-4-yl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-1-(2-thiophen-2-ylquinolin-4-yl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[3-oxo-1-[2-(2-thienyl)quinoline-4-carbonyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-1-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-(2-thienyl)quinoline-4-carbonyl]piperazin-2-yl]acetic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C21H19N3O4S/c1-28-19(25)12-17-20(26)22-8-9-24(17)21(27)14-11-16(18-7-4-10-29-18)23-15-6-3-2-5-13(14)15/h2-7,10-11,17H,8-9,12H2,1H3,(H,22,26)