prop-2-enyl (3S,4R)-5-cyano-2-methylidene-6-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-thiophen-2-yl-4,5-dihydro-3H-pyridine-3-carboxylate

Systemtic Name: prop-2-enyl (3S,4R)-5-cyano-2-methylidene-6-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-thiophen-2-yl-4,5-dihydro-3H-pyridine-3-carboxylate Openeye Name: allyl (3S,4R)-5-cyano-2-methylene-6-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanyl-4-(2-thienyl)-4,5-dihydro-3H-pyridine-3-carboxylate CAS Name: (3S,4R)-5-cyano-2-methylene-6-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]-4-thiophen-2-yl-4,5-dihydro-3H-pyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (3S,4R)-5-cyano-2-methylidene-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-thiophen-2-yl-4,5-dihydro-3H-pyridine-3-carboxylate Traditional Name: (3S,4R)-5-cyano-6-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]-2-methylene-4-(2-thienyl)-4,5-dihydro-3H-pyridine-3-carboxylic acid allyl ester Formula: C20H18N4O3S3 MolecularWeight: 458.57692

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1C(C(C(=NC1=C)SCC(=O)NC2=NC=CS2)C#N)C3=CC=CS3

Isomeric SMILES

C=CCOC(=O)[C@H]1[C@H](C(C(=NC1=C)SCC(=O)NC2=NC=CS2)C#N)C3=CC=CS3

InChI

InChI=1S/C20H18N4O3S3/c1-3-7-27-19(26)16-12(2)23-18(13(10-21)17(16)14-5-4-8-28-14)30-11-15(25)24-20-22-6-9-29-20/h3-6,8-9,13,16-17H,1-2,7,11H2,(H,22,24,25)/t13?,16-,17-/m1/s1