propan-2-yl 4-(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: propan-2-yl 4-(3-cyano-4,6-dithiophen-2-yl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: isopropyl 4-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-4,6-dithiophen-2-yl-2-pyridinyl)thio]-3-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-cyano-4,6-dithiophen-2-ylpyridin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-cyano-4,6-bis(2-thienyl)-2-pyridyl]thio]-3-keto-butyric acid isopropyl ester Formula: C21H18N2O3S3 MolecularWeight: 442.57422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CS3)C#N

Isomeric SMILES

CC(C)OC(=O)CC(=O)CSC1=C(C(=CC(=N1)C2=CC=CS2)C3=CC=CS3)C#N

InChI

InChI=1S/C21H18N2O3S3/c1-13(2)26-20(25)9-14(24)12-29-21-16(11-22)15(18-5-3-7-27-18)10-17(23-21)19-6-4-8-28-19/h3-8,10,13H,9,12H2,1-2H3