tert-butyl 3-acetamido-4-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl 3-acetamido-4-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-butanoate Openeye Name: tert-butyl 3-acetamido-4-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxo-butanoate CAS Name: 3-acetamido-4-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetamido-4-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxobutanoate Traditional Name: 3-acetamido-4-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-4-keto-butyric acid tert-butyl ester Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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(=O)OC(C)(C)C)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4S2/c1-6-7-8-9-10-13-32-23-27-18-12-11-17(14-20(18)33-23)26-22(30)19(25-16(2)28)15-21(29)31-24(3,4)5/h11-12,14,19H,6-7,10,13,15H2,1-5H3,(H,25,28)(H,26,30)