ethyl 6-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 6-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[[2-(1-adamantylamino)-2-oxoethyl]thio]-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methoxycarbonylphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-4-(4-carbomethoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C30H35N3O5S MolecularWeight: 549.681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)OC)C#N)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C(=O)OC)C#N)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C30H35N3O5S/c1-4-38-29(36)25-17(2)32-27(23(15-31)26(25)21-5-7-22(8-6-21)28(35)37-3)39-16-24(34)33-30-12-18-9-19(13-30)11-20(10-18)14-30/h5-8,18-20,26,32H,4,9-14,16H2,1-3H3,(H,33,34)