ethyl (4R,4aR)-4-(5-tert-butylthiophen-2-yl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: ethyl (4R,4aR)-4-(5-tert-butylthiophen-2-yl)-2-methyl-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: ethyl (4R,4aR)-4-(5-tert-butyl-2-thienyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,4aR)-4-(5-tert-butyl-2-thiophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,4aR)-4-(5-tert-butylthiophen-2-yl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,4aR)-4-(5-tert-butyl-2-thienyl)-5-keto-2-methyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid ethyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2CCCC(=O)C2C1C3=CC=C(S3)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2CCCC(=O)[C@@H]2[C@H]1C3=CC=C(S3)C(C)(C)C)C

InChI

InChI=1S/C21H27NO3S/c1-6-25-20(24)17-12(2)22-13-8-7-9-14(23)18(13)19(17)15-10-11-16(26-15)21(3,4)5/h10-11,18-19H,6-9H2,1-5H3/t18-,19+/m1/s1