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

Systemtic Name: 2-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]pent-4-ynamide Openeye Name: 2-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]pent-4-ynamide CAS Name: 2-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-4-pentynamide IUPAC Name: 2-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]pent-4-ynamide Traditional Name: 2-acetamido-N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]pent-4-ynamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S2/c1-3-5-16(21-13(2)24)19(25)22-14-6-7-15-17(12-14)29-20(23-15)28-11-8-18-26-9-4-10-27-18/h1,6-7,12,16,18H,4-5,8-11H2,2H3,(H,21,24)(H,22,25)