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

Systemtic Name: ethyl (4S)-4-(5-ethyl-2-ethylsulfanyl-thiophen-3-yl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: ethyl (4S)-4-(5-ethyl-2-ethylsulfanyl-3-thienyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S)-4-[5-ethyl-2-(ethylthio)-3-thiophenyl]-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S)-4-[5-ethyl-2-(ethylthio)-3-thienyl]-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester Formula: C21H27NO3S2 MolecularWeight: 405.57398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)SCC)C2C3C(=NC(=C2C(=O)OCC)C)CCCC3=O

Isomeric SMILES

CCC1=CC(=C(S1)SCC)[C@H]2C3C(=NC(=C2C(=O)OCC)C)CCCC3=O

InChI

InChI=1S/C21H27NO3S2/c1-5-13-11-14(21(27-13)26-7-3)18-17(20(24)25-6-2)12(4)22-15-9-8-10-16(23)19(15)18/h11,18-19H,5-10H2,1-4H3/t18-,19?/m1/s1