tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[2-(2-naphthylamino)-2-oxo-ethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[[2-(2-naphthalenylamino)-2-oxoethyl]thio]-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-cyano-6-[[2-keto-2-(2-naphthylamino)ethyl]thio]-2-methyl-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C30H28ClN3O3S MolecularWeight: 546.07962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC3=CC=CC=C3C=C2)C#N)C4=CC=C(C=C4)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC3=CC=CC=C3C=C2)C#N)C4=CC=C(C=C4)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H28ClN3O3S/c1-18-26(29(36)37-30(2,3)4)27(20-9-12-22(31)13-10-20)24(16-32)28(33-18)38-17-25(35)34-23-14-11-19-7-5-6-8-21(19)15-23/h5-15,27,33H,17H2,1-4H3,(H,34,35)