propan-2-yl (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: propan-2-yl (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: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C26H29NO5S MolecularWeight: 467.57716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO5S/c1-5-31-21-13-16(8-9-19(21)28)24-23(26(30)32-14(2)3)15(4)27-18-11-17(12-20(29)25(18)24)22-7-6-10-33-22/h6-10,13-14,17,24-25,28H,5,11-12H2,1-4H3/t17-,24-,25?/m1/s1