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

Systemtic Name: propan-2-yl 4-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: isopropyl 4-[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridin-1-iumyl)thio]-3-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-1-ium-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]thio]-3-keto-butyric acid isopropyl ester Formula: C18H17N4O3S2+ MolecularWeight: 401.48258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CS2)C#N

Isomeric SMILES

CC(C)OC(=O)CC(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CS2)C#N

InChI

InChI=1S/C18H16N4O3S2/c1-10(2)25-15(24)6-11(23)9-27-18-13(8-20)16(14-4-3-5-26-14)12(7-19)17(21)22-18/h3-5,10H,6,9H2,1-2H3,(H2,21,22)/p+1