2-ethylsulfanylethyl (4S)-2-methyl-4-(6-methyl-4-oxidanylidene-chromen-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S)-2-methyl-4-(6-methyl-4-oxidanylidene-chromen-3-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-2-methyl-4-(6-methyl-4-oxo-chromen-3-yl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-4-(6-methyl-4-oxo-1-benzopyran-3-yl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-4-(4-keto-6-methyl-chromen-3-yl)-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2=C(CCCC2=O)N=C1C)C3=COC4=C(C3=O)C=C(C=C4)C

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(CCCC2=O)N=C1C)C3=COC4=C(C3=O)C=C(C=C4)C

InChI

InChI=1S/C25H27NO5S/c1-4-32-11-10-30-25(29)21-15(3)26-18-6-5-7-19(27)23(18)22(21)17-13-31-20-9-8-14(2)12-16(20)24(17)28/h8-9,12-13,21-22H,4-7,10-11H2,1-3H3/t21?,22-/m0/s1