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

Systemtic Name: 2-ethylsulfanylethyl (4R)-2-methyl-5-oxidanylidene-4-(2-propoxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-2-methyl-5-oxo-4-(2-propoxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R)-2-methyl-5-oxo-4-(2-propoxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-2-methyl-5-oxo-4-(2-propoxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R)-5-keto-2-methyl-4-(2-propoxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OCCSCC)C)CCCC3=O

Isomeric SMILES

CCCOC1=CC=CC=C1[C@H]2C3C(=NC(=C2C(=O)OCCSCC)C)CCCC3=O

InChI

InChI=1S/C24H31NO4S/c1-4-13-28-20-12-7-6-9-17(20)22-21(24(27)29-14-15-30-5-2)16(3)25-18-10-8-11-19(26)23(18)22/h6-7,9,12,22-23H,4-5,8,10-11,13-15H2,1-3H3/t22-,23?/m1/s1