(4S)-5-cyano-N-(4-ethylphenyl)-4-(furan-2-yl)-2-methyl-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-3,4-dihydropyridine-3-carboxamide

Systemtic Name: (4S)-5-cyano-N-(4-ethylphenyl)-4-(furan-2-yl)-2-methyl-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-3,4-dihydropyridine-3-carboxamide Openeye Name: (4S)-6-(2-anilino-2-oxo-ethyl)sulfanyl-5-cyano-N-(4-ethylphenyl)-4-(2-furyl)-2-methyl-3,4-dihydropyridine-3-carboxamide CAS Name: (4S)-6-[(2-anilino-2-oxoethyl)thio]-5-cyano-N-(4-ethylphenyl)-4-(2-furanyl)-2-methyl-3,4-dihydropyridine-3-carboxamide IUPAC Name: (4S)-6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-N-(4-ethylphenyl)-4-(furan-2-yl)-2-methyl-3,4-dihydropyridine-3-carboxamide Traditional Name: (4S)-6-[(2-anilino-2-keto-ethyl)thio]-5-cyano-N-(4-ethylphenyl)-4-(2-furyl)-2-methyl-3,4-dihydropyridine-3-carboxamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2C(C(=C(N=C2C)SCC(=O)NC3=CC=CC=C3)C#N)C4=CC=CO4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2[C@@H](C(=C(N=C2C)SCC(=O)NC3=CC=CC=C3)C#N)C4=CC=CO4

InChI

InChI=1S/C28H26N4O3S/c1-3-19-11-13-21(14-12-19)32-27(34)25-18(2)30-28(22(16-29)26(25)23-10-7-15-35-23)36-17-24(33)31-20-8-5-4-6-9-20/h4-15,25-26H,3,17H2,1-2H3,(H,31,33)(H,32,34)/t25?,26-/m0/s1