[2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-oxo-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [2-[(3-cyano-4,5-dimethyl-2-furanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid [2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)COC(=O)C2=CC=C(C=C2)SCC3=CSC=N3)C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)COC(=O)C2=CC=C(C=C2)SCC3=CSC=N3)C

InChI

InChI=1S/C20H17N3O4S2/c1-12-13(2)27-19(17(12)7-21)23-18(24)8-26-20(25)14-3-5-16(6-4-14)29-10-15-9-28-11-22-15/h3-6,9,11H,8,10H2,1-2H3,(H,23,24)