ethyl (4S,7R)-4-(5-ethyl-2-ethylsulfanyl-thiophen-3-yl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: ethyl (4S,7R)-4-(5-ethyl-2-ethylsulfanyl-thiophen-3-yl)-2-methyl-5-oxidanylidene-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: ethyl (4S,7R)-4-(5-ethyl-2-ethylsulfanyl-3-thienyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-[5-ethyl-2-(ethylthio)-3-thiophenyl]-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,7R)-4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-[5-ethyl-2-(ethylthio)-3-thienyl]-5-keto-2-methyl-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester Formula: C27H31NO3S2 MolecularWeight: 481.66994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)SCC)C2C3C(=NC(=C2C(=O)OCC)C)CC(CC3=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=C(S1)SCC)[C@H]2C3C(=NC(=C2C(=O)OCC)C)C[C@H](CC3=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31NO3S2/c1-5-19-15-20(27(33-19)32-7-3)24-23(26(30)31-6-2)16(4)28-21-13-18(14-22(29)25(21)24)17-11-9-8-10-12-17/h8-12,15,18,24-25H,5-7,13-14H2,1-4H3/t18-,24-,25?/m1/s1