1,2,3,4-tetrahydronaphthalen-1-yl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: 1,2,3,4-tetrahydronaphthalen-1-yl 3-cyano-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: tetralin-1-yl 3-cyano-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid 1,2,3,4-tetrahydronaphthalen-1-yl ester IUPAC Name: 1,2,3,4-tetrahydronaphthalen-1-yl 3-cyano-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-4-keto-2-(methylthio)quinolizine-1-carboxylic acid tetralin-1-yl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OC3CCCC4=CC=CC=C34)C#N

Isomeric SMILES

CSC1=C(C(=O)N2C=CC=CC2=C1C(=O)OC3CCCC4=CC=CC=C34)C#N

InChI

InChI=1S/C22H18N2O3S/c1-28-20-16(13-23)21(25)24-12-5-4-10-17(24)19(20)22(26)27-18-11-6-8-14-7-2-3-9-15(14)18/h2-5,7,9-10,12,18H,6,8,11H2,1H3