2-acetamido-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-methyl-pent-4-enamide

Systemtic Name: 2-acetamido-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-methyl-pent-4-enamide Openeye Name: 2-acetamido-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-methyl-pent-4-enamide CAS Name: 2-acetamido-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-4-methyl-4-pentenamide IUPAC Name: 2-acetamido-N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-4-methylpent-4-enamide Traditional Name: 2-acetamido-N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-4-methyl-pent-4-enamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC(=C)C)NC(=O)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C(CC(=C)C)NC(=O)C

InChI

InChI=1S/C22H27N3O2S2/c1-5-6-7-8-9-12-28-22-25-18-11-10-17(14-20(18)29-22)24-21(27)19(13-15(2)3)23-16(4)26/h10-11,14,19H,2,5-6,9,12-13H2,1,3-4H3,(H,23,26)(H,24,27)