methyl (4R,4aR)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-3-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4R,4aR)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-3-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4R,4aR)-2,7,7-trimethyl-5-oxo-4-(3-thienyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: (4R,4aR)-2,7,7-trimethyl-5-oxo-4-(3-thiophenyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4R,4aR)-2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: (4R,4aR)-5-keto-2,7,7-trimethyl-4-(3-thienyl)-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CSC=C3)C(=O)OC

Isomeric SMILES

CC1=C([C@@H]([C@H]2C(=O)CC(C=C2N1)(C)C)C3=CSC=C3)C(=O)OC

InChI

InChI=1S/C18H21NO3S/c1-10-14(17(21)22-4)15(11-5-6-23-9-11)16-12(19-10)7-18(2,3)8-13(16)20/h5-7,9,15-16,19H,8H2,1-4H3/t15-,16+/m0/s1