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

Systemtic Name: phenethyl (4S,7R)-2-methyl-4-(5-methylfuran-2-yl)-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: phenethyl (4S,7R)-2-methyl-4-(5-methyl-2-furyl)-5-oxo-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,7R)-2-methyl-4-(5-methyl-2-furanyl)-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S,7R)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,7R)-5-keto-2-methyl-4-(5-methyl-2-furyl)-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester Formula: C28H27NO4S MolecularWeight: 473.58328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CC(CC3=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(O1)[C@H]2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)C[C@H](CC3=O)C5=CC=CS5

InChI

InChI=1S/C28H27NO4S/c1-17-10-11-23(33-17)27-25(28(31)32-13-12-19-7-4-3-5-8-19)18(2)29-21-15-20(16-22(30)26(21)27)24-9-6-14-34-24/h3-11,14,20,26-27H,12-13,15-16H2,1-2H3/t20-,26?,27-/m1/s1