ethyl (4R,4aS)-4-(1,3-diphenylpyrazol-4-yl)-3-methyl-5-oxidanylidene-4a,6,7,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate

Systemtic Name: ethyl (4R,4aS)-4-(1,3-diphenylpyrazol-4-yl)-3-methyl-5-oxidanylidene-4a,6,7,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate Openeye Name: ethyl (4R,4aS)-4-(1,3-diphenylpyrazol-4-yl)-3-methyl-5-oxo-4a,6,7,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate CAS Name: (4R,4aS)-4-(1,3-diphenyl-4-pyrazolyl)-3-methyl-5-oxo-4a,6,7,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,4aS)-4-(1,3-diphenylpyrazol-4-yl)-3-methyl-5-oxo-4a,6,7,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylate Traditional Name: (4R,4aS)-4-(1,3-diphenylpyrazol-4-yl)-5-keto-3-methyl-4a,6,7,9-tetrahydro-4H-thieno[2,3-b]quinoline-2-carboxylic acid ethyl ester Formula: C30H27N3O3S MolecularWeight: 509.61868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)NC3=CCCC(=O)C3C2C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)NC3=CCCC(=O)[C@H]3[C@@H]2C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C30H27N3O3S/c1-3-36-30(35)28-18(2)24-25(26-22(31-29(24)37-28)15-10-16-23(26)34)21-17-33(20-13-8-5-9-14-20)32-27(21)19-11-6-4-7-12-19/h4-9,11-15,17,25-26,31H,3,10,16H2,1-2H3/t25-,26+/m1/s1