methyl (4S)-5-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl (4S)-5-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(2-oxidanylidene-2-thiophen-2-yl-ethyl)sulfanyl-3,4-dihydropyridine-3-carboxylate Openeye Name: methyl (4S)-5-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-[2-oxo-2-(2-thienyl)ethyl]sulfanyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-[(2-oxo-2-thiophen-2-ylethyl)thio]-3,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-5-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-6-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[[2-keto-2-(2-thienyl)ethyl]thio]-2-methyl-3,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C23H20N2O5S2 MolecularWeight: 468.5453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC)C2=CC3=C(C=C2)OCCO3)C#N)SCC(=O)C4=CC=CS4

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OC)C2=CC3=C(C=C2)OCCO3)C#N)SCC(=O)C4=CC=CS4

InChI

InChI=1S/C23H20N2O5S2/c1-13-20(23(27)28-2)21(14-5-6-17-18(10-14)30-8-7-29-17)15(11-24)22(25-13)32-12-16(26)19-4-3-9-31-19/h3-6,9-10,20-21H,7-8,12H2,1-2H3/t20?,21-/m0/s1