(4-chlorophenyl)methyl 3-azanyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydrothieno[2,3-b]quinoline-2-carboxylate

Systemtic Name: (4-chlorophenyl)methyl 3-azanyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydrothieno[2,3-b]quinoline-2-carboxylate Openeye Name: (4-chlorophenyl)methyl 3-amino-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxylate CAS Name: 3-amino-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxylic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 3-amino-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxylate Traditional Name: 3-amino-5-keto-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinoline-2-carboxylic acid (4-chlorobenzyl) ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C3C(=C(SC3=N2)C(=O)OCC4=CC=C(C=C4)Cl)N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C=C3C(=C(SC3=N2)C(=O)OCC4=CC=C(C=C4)Cl)N)C(=O)C1)C

InChI

InChI=1S/C21H19ClN2O3S/c1-21(2)8-15-13(16(25)9-21)7-14-17(23)18(28-19(14)24-15)20(26)27-10-11-3-5-12(22)6-4-11/h3-7H,8-10,23H2,1-2H3