methyl 2-[[3-cyano-6-methyl-4-(5-methylfuran-2-yl)-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[3-cyano-6-methyl-4-(5-methylfuran-2-yl)-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[3-cyano-6-methyl-4-(5-methyl-2-furyl)-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[anilino(oxo)methyl]-3-cyano-6-methyl-4-(5-methyl-2-furanyl)-1,4-dihydropyridin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[3-cyano-6-methyl-4-(5-methylfuran-2-yl)-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-cyano-6-methyl-4-(5-methyl-2-furyl)-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]thio]acetic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3)C)SCC(=O)OC)C#N

Isomeric SMILES

CC1=CC=C(O1)C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3)C)SCC(=O)OC)C#N

InChI

InChI=1S/C22H21N3O4S/c1-13-9-10-17(29-13)20-16(11-23)22(30-12-18(26)28-3)24-14(2)19(20)21(27)25-15-7-5-4-6-8-15/h4-10,20,24H,12H2,1-3H3,(H,25,27)