methyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(5-thiophen-2-yl-1H-pyrazol-4-yl)-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(5-thiophen-2-yl-1H-pyrazol-4-yl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4S)-2,7,7-trimethyl-5-oxo-4-[5-(2-thienyl)-1H-pyrazol-4-yl]-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(5-thiophen-2-yl-1H-pyrazol-4-yl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2,7,7-trimethyl-5-oxo-4-(5-thiophen-2-yl-1H-pyrazol-4-yl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-[5-(2-thienyl)-1H-pyrazol-4-yl]-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=C(NN=C3)C4=CC=CS4)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC)C3=C(NN=C3)C4=CC=CS4)C(=O)CC(C2)(C)C

InChI

InChI=1S/C21H23N3O3S/c1-11-16(20(26)27-4)17(12-10-22-24-19(12)15-6-5-7-28-15)18-13(23-11)8-21(2,3)9-14(18)25/h5-7,10,16-17H,8-9H2,1-4H3,(H,22,24)/t16?,17-/m1/s1