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

Systemtic Name: ethyl 6-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[2-(tert-butylamino)-2-oxoethyl]thio]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[2-(tert-butylamino)-2-keto-ethyl]thio]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C27H28ClN3O3S MolecularWeight: 510.04752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)NC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)SCC(=O)NC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C27H28ClN3O3S/c1-5-34-26(33)23-22(18-13-9-10-14-20(18)28)19(15-29)25(35-16-21(32)31-27(2,3)4)30-24(23)17-11-7-6-8-12-17/h6-14,22,30H,5,16H2,1-4H3,(H,31,32)