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

Systemtic Name: (phenylmethyl) 3-azanyl-7,7-dimethyl-5-oxidanylidene-6,8-dihydrothieno[2,3-b]quinoline-2-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-21(2)9-15-13(16(24)10-21)8-14-17(22)18(27-19(14)23-15)20(25)26-11-12-6-4-3-5-7-12/h3-8H,9-11,22H2,1-2H3