3-azanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydrothieno[2,3-b]quinoline-2-carboxylic acid

Systemtic Name: 3-azanyl-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydrothieno[2,3-b]quinoline-2-carboxylic acid Openeye Name: 3-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxylic acid CAS Name: 3-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxylic acid IUPAC Name: 3-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydrothieno[2,3-b]quinoline-2-carboxylic acid Traditional Name: 3-amino-5-keto-4-(4-methoxyphenyl)-7,7-dimethyl-6,8-dihydrothieno[2,3-b]quinoline-2-carboxylic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-21(2)8-12-15(13(24)9-21)14(10-4-6-11(27-3)7-5-10)16-17(22)18(20(25)26)28-19(16)23-12/h4-7H,8-9,22H2,1-3H3,(H,25,26)