prop-2-enyl (4R)-5-cyano-6-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4R)-5-cyano-6-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4R)-6-[2-(3-acetylanilino)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxylate CAS Name: (4R)-6-[[2-(3-acetylanilino)-2-oxoethyl]thio]-5-cyano-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4R)-6-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4R)-6-[[2-(3-acetylanilino)-2-keto-ethyl]thio]-5-cyano-2-methyl-4-(2-thienyl)-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCC=C)C2=CC=CS2)C#N)SCC(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OCC=C)C2=CC=CS2)C#N)SCC(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C25H23N3O4S2/c1-4-10-32-25(31)22-15(2)27-24(19(13-26)23(22)20-9-6-11-33-20)34-14-21(30)28-18-8-5-7-17(12-18)16(3)29/h4-9,11-12,22-23H,1,10,14H2,2-3H3,(H,28,30)/t22?,23-/m1/s1