2-ethylsulfanylethyl (4R,7R)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4R,7R)-4-(3-ethoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R,7R)-4-(3-ethoxy-4-hydroxy-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,7R)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R,7R)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,7R)-4-(3-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C27H31NO5S2 MolecularWeight: 513.66874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3C(=NC(=C2C(=O)OCCSCC)C)CC(CC3=O)C4=CC=CS4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C3C(=NC(=C2C(=O)OCCSCC)C)C[C@H](CC3=O)C4=CC=CS4)O

InChI

InChI=1S/C27H31NO5S2/c1-4-32-22-15-17(8-9-20(22)29)25-24(27(31)33-10-12-34-5-2)16(3)28-19-13-18(14-21(30)26(19)25)23-7-6-11-35-23/h6-9,11,15,18,25-26,29H,4-5,10,12-14H2,1-3H3/t18-,25-,26?/m1/s1