ethyl 6-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate

Systemtic Name: ethyl 6-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-oxidanylidene-1,3-dihydroimidazol-4-yl]-6-oxidanylidene-hexanoate Openeye Name: ethyl 6-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxo-hexanoate CAS Name: 6-[5-[(1,3-benzothiazol-2-ylthio)methyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxohexanoate Traditional Name: 6-[5-[(1,3-benzothiazol-2-ylthio)methyl]-2-keto-4-imidazolin-4-yl]-6-keto-hexanoic acid ethyl ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H21N3O4S2/c1-2-26-16(24)10-6-4-8-14(23)17-13(20-18(25)22-17)11-27-19-21-12-7-3-5-9-15(12)28-19/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H2,20,22,25)