ethyl 8-chloranyl-1-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-quinolizine-3-carboxylate

Systemtic Name: ethyl 8-chloranyl-1-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-quinolizine-3-carboxylate Openeye Name: ethyl 8-chloro-1-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-quinolizine-3-carboxylate CAS Name: 8-chloro-1-ethyl-2-[(4-methoxyphenyl)methylthio]-4-oxo-3-quinolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-1-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxoquinolizine-3-carboxylate Traditional Name: 8-chloro-1-ethyl-4-keto-2-(p-anisylthio)quinolizine-3-carboxylic acid ethyl ester Formula: C22H22ClNO4S MolecularWeight: 431.93238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C(C=CN2C(=O)C(=C1SCC3=CC=C(C=C3)OC)C(=O)OCC)Cl

Isomeric SMILES

CCC1=C2C=C(C=CN2C(=O)C(=C1SCC3=CC=C(C=C3)OC)C(=O)OCC)Cl

InChI

InChI=1S/C22H22ClNO4S/c1-4-17-18-12-15(23)10-11-24(18)21(25)19(22(26)28-5-2)20(17)29-13-14-6-8-16(27-3)9-7-14/h6-12H,4-5,13H2,1-3H3