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

Systemtic Name: propan-2-yl 4-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: isopropyl 4-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[6-amino-3,5-dicyano-4-(3-thiophenyl)-2-pyridinyl]thio]-3-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(6-amino-3,5-dicyano-4-thiophen-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]thio]-3-keto-butyric acid isopropyl ester Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CSC=C2)C#N

Isomeric SMILES

CC(C)OC(=O)CC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CSC=C2)C#N

InChI

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