ethyl 4-[[(4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-phenyl-3,4-dihydropyridin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[(4R)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-phenyl-3,4-dihydropyridin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(4R)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-methyl-4-phenyl-3,4-dihydropyridine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(4R)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-methyl-4-phenyl-3,4-dihydropyridin-3-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4R)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-phenyl-3,4-dihydropyridine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(4R)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-methyl-4-phenyl-3,4-dihydropyridine-3-carbonyl]amino]benzoic acid ethyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2C(C(=C(N=C2C)SCC(=O)N)C#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2[C@@H](C(=C(N=C2C)SCC(=O)N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C25H24N4O4S/c1-3-33-25(32)17-9-11-18(12-10-17)29-23(31)21-15(2)28-24(34-14-20(27)30)19(13-26)22(21)16-7-5-4-6-8-16/h4-12,21-22H,3,14H2,1-2H3,(H2,27,30)(H,29,31)/t21?,22-/m1/s1