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

Systemtic Name: 2-ethylsulfanylethyl (4R)-4-(2-ethoxyphenyl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R)-5-keto-2-methyl-4-o-phenetyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OCCSCC)C)CCCC3=O

Isomeric SMILES

CCOC1=CC=CC=C1[C@H]2C3C(=NC(=C2C(=O)OCCSCC)C)CCCC3=O

InChI

InChI=1S/C23H29NO4S/c1-4-27-19-12-7-6-9-16(19)21-20(23(26)28-13-14-29-5-2)15(3)24-17-10-8-11-18(25)22(17)21/h6-7,9,12,21-22H,4-5,8,10-11,13-14H2,1-3H3/t21-,22?/m1/s1