N-[3-(2-acetamido-1,3-thiazol-4-yl)-1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptyl]prop-2-enamide

Systemtic Name: N-[3-(2-acetamido-1,3-thiazol-4-yl)-1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptyl]prop-2-enamide Openeye Name: N-[3-(2-acetamidothiazol-4-yl)-1-(2-furylmethylsulfanyl)-2-oxo-heptyl]prop-2-enamide CAS Name: N-[3-(2-acetamido-4-thiazolyl)-1-(2-furanylmethylthio)-2-oxoheptyl]-2-propenamide IUPAC Name: N-[3-(2-acetamido-1,3-thiazol-4-yl)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptyl]prop-2-enamide Traditional Name: N-[3-(2-acetamidothiazol-4-yl)-1-(2-furfurylthio)-2-keto-heptyl]acrylamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CSC(=N1)NC(=O)C)C(=O)C(NC(=O)C=C)SCC2=CC=CO2

Isomeric SMILES

CCCCC(C1=CSC(=N1)NC(=O)C)C(=O)C(NC(=O)C=C)SCC2=CC=CO2

InChI

InChI=1S/C20H25N3O4S2/c1-4-6-9-15(16-12-29-20(22-16)21-13(3)24)18(26)19(23-17(25)5-2)28-11-14-8-7-10-27-14/h5,7-8,10,12,15,19H,2,4,6,9,11H2,1,3H3,(H,23,25)(H,21,22,24)