2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxidanylidene-4-(4-oxidanylidenechromen-3-yl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxidanylidene-4-(4-oxidanylidenechromen-3-yl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S,7R)-2-methyl-5-oxo-4-(4-oxo-1-benzopyran-3-yl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,7R)-2-methyl-5-oxo-4-(4-oxochromen-3-yl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S,7R)-5-keto-4-(4-ketochromen-3-yl)-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C28H27NO5S2 MolecularWeight: 521.64768

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=COC4=CC=CC=C4C3=O)C(=O)CC(C2)C5=CC=CS5)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@H]1C3=COC4=CC=CC=C4C3=O)C(=O)C[C@@H](C2)C5=CC=CS5)C

InChI

InChI=1S/C28H27NO5S2/c1-3-35-12-10-33-28(32)24-16(2)29-20-13-17(23-9-6-11-36-23)14-21(30)26(20)25(24)19-15-34-22-8-5-4-7-18(22)27(19)31/h4-9,11,15,17,25,29H,3,10,12-14H2,1-2H3/t17-,25+/m1/s1