ethyl 4-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-pyridin-1-ium-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-pyridin-1-ium-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[6-amino-3,5-dicyano-4-(3-thienyl)pyridin-1-ium-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[6-amino-3,5-dicyano-4-(3-thiophenyl)-2-pyridin-1-iumyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(6-amino-3,5-dicyano-4-thiophen-3-ylpyridin-1-ium-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[[6-amino-3,5-dicyano-4-(3-thienyl)pyridin-1-ium-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C17H15N4O3S2+ MolecularWeight: 387.456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CSC=C2)C#N

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CSC=C2)C#N

InChI

InChI=1S/C17H14N4O3S2/c1-2-24-14(23)5-11(22)9-26-17-13(7-19)15(10-3-4-25-8-10)12(6-18)16(20)21-17/h3-4,8H,2,5,9H2,1H3,(H2,20,21)/p+1