(phenylmethyl) 3-cyano-8-(5-methyl-2-propan-2-yl-cyclohexyl)-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-cyano-8-(5-methyl-2-propan-2-yl-cyclohexyl)-2-methylsulfanyl-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: benzyl 3-cyano-8-(2-isopropyl-5-methyl-cyclohexyl)-2-methylsulfanyl-4-oxo-quinolizine-1-carboxylate CAS Name: 3-cyano-8-(5-methyl-2-propan-2-ylcyclohexyl)-2-(methylthio)-4-oxo-1-quinolizinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-cyano-8-(5-methyl-2-propan-2-ylcyclohexyl)-2-methylsulfanyl-4-oxoquinolizine-1-carboxylate Traditional Name: 3-cyano-8-(2-isopropyl-5-methyl-cyclohexyl)-4-keto-2-(methylthio)quinolizine-1-carboxylic acid benzyl ester Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C2=CC3=C(C(=C(C(=O)N3C=C2)C#N)SC)C(=O)OCC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1CCC(C(C1)C2=CC3=C(C(=C(C(=O)N3C=C2)C#N)SC)C(=O)OCC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C29H32N2O3S/c1-18(2)22-11-10-19(3)14-23(22)21-12-13-31-25(15-21)26(27(35-4)24(16-30)28(31)32)29(33)34-17-20-8-6-5-7-9-20/h5-9,12-13,15,18-19,22-23H,10-11,14,17H2,1-4H3