[2-oxidanylidene-3-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1,3-oxazolidin-5-yl]methyl butanoate

Systemtic Name: [2-oxidanylidene-3-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1,3-oxazolidin-5-yl]methyl butanoate Openeye Name: [3-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-2-oxo-oxazolidin-5-yl]methyl butanoate CAS Name: butanoic acid [2-oxo-3-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]-5-oxazolidinyl]methyl ester IUPAC Name: [3-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl butanoate Traditional Name: butyric acid [3-[2-(benzylthio)-1,3-benzothiazol-6-yl]-2-keto-oxazolidin-5-yl]methyl ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1CN(C(=O)O1)C2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

CCCC(=O)OCC1CN(C(=O)O1)C2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O4S2/c1-2-6-20(25)27-13-17-12-24(22(26)28-17)16-9-10-18-19(11-16)30-21(23-18)29-14-15-7-4-3-5-8-15/h3-5,7-11,17H,2,6,12-14H2,1H3