ethyl (4S,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: ethyl (4S,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: ethyl (4S,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: (4S,7R)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,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: (4S,7R)-4-(3-ethoxy-4-hydroxy-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO5S/c1-4-30-20-13-15(8-9-18(20)27)23-22(25(29)31-5-2)14(3)26-17-11-16(12-19(28)24(17)23)21-7-6-10-32-21/h6-10,13,16,23-24,27H,4-5,11-12H2,1-3H3/t16-,23+,24?/m1/s1