prop-2-enyl 4-[4-[2-(2-oxidanylideneethylsulfanyl)quinolin-3-yl]phenyl]piperazine-1-carboxylate

Systemtic Name: prop-2-enyl 4-[4-[2-(2-oxidanylideneethylsulfanyl)quinolin-3-yl]phenyl]piperazine-1-carboxylate Openeye Name: allyl 4-[4-[2-(2-oxoethylsulfanyl)-3-quinolyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[2-(2-oxoethylthio)-3-quinolinyl]phenyl]-1-piperazinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[4-[2-(2-oxoethylsulfanyl)quinolin-3-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-(2-ketoethylthio)-3-quinolyl]phenyl]piperazine-1-carboxylic acid allyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O

Isomeric SMILES

C=CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N=C3SCC=O

InChI

InChI=1S/C25H25N3O3S/c1-2-16-31-25(30)28-13-11-27(12-14-28)21-9-7-19(8-10-21)22-18-20-5-3-4-6-23(20)26-24(22)32-17-15-29/h2-10,15,18H,1,11-14,16-17H2