(phenylmethyl) 5-cyano-4-(furan-2-yl)-2-methyl-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 5-cyano-4-(furan-2-yl)-2-methyl-6-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,4-dihydropyridine-3-carboxylate Openeye Name: benzyl 6-(2-anilino-2-oxo-ethyl)sulfanyl-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[(2-anilino-2-oxoethyl)thio]-5-cyano-4-(2-furanyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[(2-anilino-2-keto-ethyl)thio]-5-cyano-4-(2-furyl)-2-methyl-1,4-dihydropyridine-3-carboxylic acid benzyl ester Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H23N3O4S/c1-18-24(27(32)34-16-19-9-4-2-5-10-19)25(22-13-8-14-33-22)21(15-28)26(29-18)35-17-23(31)30-20-11-6-3-7-12-20/h2-14,25,29H,16-17H2,1H3,(H,30,31)