2-ethylsulfanylethyl (4R)-4-(4-ethylphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4R)-4-(4-ethylphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-4-(4-ethylphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R)-4-(4-ethylphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-4-(4-ethylphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R)-4-(4-ethylphenyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3C(=NC(=C2C(=O)OCCSCC)C)CCCC3=O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OCCSCC)C)CCCC3=O

InChI

InChI=1S/C23H29NO3S/c1-4-16-9-11-17(12-10-16)21-20(23(26)27-13-14-28-5-2)15(3)24-18-7-6-8-19(25)22(18)21/h9-12,21-22H,4-8,13-14H2,1-3H3/t21-,22?/m1/s1