2,3,3-tris(chloranyl)prop-2-enyl 5-(1,3-benzothiazol-2-ylamino)-5-oxidanylidene-pentanoate

Systemtic Name: 2,3,3-tris(chloranyl)prop-2-enyl 5-(1,3-benzothiazol-2-ylamino)-5-oxidanylidene-pentanoate Openeye Name: 2,3,3-trichloroallyl 5-(1,3-benzothiazol-2-ylamino)-5-oxo-pentanoate CAS Name: 5-(1,3-benzothiazol-2-ylamino)-5-oxopentanoic acid 2,3,3-trichloroprop-2-enyl ester IUPAC Name: 2,3,3-trichloroprop-2-enyl 5-(1,3-benzothiazol-2-ylamino)-5-oxopentanoate Traditional Name: 5-(1,3-benzothiazol-2-ylamino)-5-keto-valeric acid 2,3,3-trichloroallyl ester Formula: C15H13Cl3N2O3S MolecularWeight: 407.69932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCC(=O)OCC(=C(Cl)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCC(=O)OCC(=C(Cl)Cl)Cl

InChI

InChI=1S/C15H13Cl3N2O3S/c16-9(14(17)18)8-23-13(22)7-3-6-12(21)20-15-19-10-4-1-2-5-11(10)24-15/h1-2,4-5H,3,6-8H2,(H,19,20,21)