2-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide

Systemtic Name: 2-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide Openeye Name: 2-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide CAS Name: 2-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-4-methyl-4-pentenamide IUPAC Name: 2-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-4-methylpent-4-enamide Traditional Name: 2-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3OCCCO3)NC(=O)C

Isomeric SMILES

CC(=C)CC(C(=O)NC1=CC2=C(C=C1)N=C(S2)SCCC3OCCCO3)NC(=O)C

InChI

InChI=1S/C21H27N3O4S2/c1-13(2)11-17(22-14(3)25)20(26)23-15-5-6-16-18(12-15)30-21(24-16)29-10-7-19-27-8-4-9-28-19/h5-6,12,17,19H,1,4,7-11H2,2-3H3,(H,22,25)(H,23,26)