ethyl 6-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[2-(tert-butylamino)-2-oxoethyl]thio]-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[2-(tert-butylamino)-2-keto-ethyl]thio]-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)NC(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)NC(C)(C)C)C

InChI

InChI=1S/C20H25N3O3S2/c1-6-26-19(25)16-12(2)22-18(28-11-15(24)23-20(3,4)5)13(10-21)17(16)14-8-7-9-27-14/h7-9,17,22H,6,11H2,1-5H3,(H,23,24)