4-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoic acid

Systemtic Name: 4-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoic acid Openeye Name: 4-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]sulfanyl]-3-oxo-butanoic acid CAS Name: 4-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]-3-oxobutanoic acid IUPAC Name: 4-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-2-yl)sulfanyl-3-oxobutanoic acid Traditional Name: 4-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]thio]-3-keto-butyric acid Formula: C15H10N4O3S2 MolecularWeight: 358.3949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C(=NC(=C2C#N)SCC(=O)CC(=O)O)N)C#N

Isomeric SMILES

C1=CSC(=C1)C2=C(C(=NC(=C2C#N)SCC(=O)CC(=O)O)N)C#N

InChI

InChI=1S/C15H10N4O3S2/c16-5-9-13(11-2-1-3-23-11)10(6-17)15(19-14(9)18)24-7-8(20)4-12(21)22/h1-3H,4,7H2,(H2,18,19)(H,21,22)