4-(5-azanyl-1-ethoxycarbonyl-4-oxidanylidene-thieno[3,4-d]pyridazin-3-yl)benzoic acid; morpholine

Systemtic Name: 4-(5-azanyl-1-ethoxycarbonyl-4-oxidanylidene-thieno[3,4-d]pyridazin-3-yl)benzoic acid; morpholine Openeye Name: 4-(5-amino-1-ethoxycarbonyl-4-oxo-thieno[3,4-d]pyridazin-3-yl)benzoic acid; morpholine CAS Name: 4-(5-amino-1-ethoxycarbonyl-4-oxo-3-thieno[3,4-d]pyridazinyl)benzoic acid; morpholine IUPAC Name: 4-(5-amino-1-ethoxycarbonyl-4-oxothieno[3,4-d]pyridazin-3-yl)benzoic acid; morpholine Traditional Name: 4-(5-amino-1-carbethoxy-4-keto-thieno[3,4-d]pyridazin-3-yl)benzoic acid; morpholine Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=C(C=C3)C(=O)O.C1COCCN1

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=C(C=C3)C(=O)O.C1COCCN1

InChI

InChI=1S/C16H13N3O5S.C4H9NO/c1-2-24-16(23)12-10-7-25-13(17)11(10)14(20)19(18-12)9-5-3-8(4-6-9)15(21)22;1-3-6-4-2-5-1/h3-7H,2,17H2,1H3,(H,21,22);5H,1-4H2