ethyl 2-[5-chloranyl-4-methyl-2-[3-(phenylsulfonyl)propanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-chloranyl-4-methyl-2-[3-(phenylsulfonyl)propanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[3-(benzenesulfonyl)propanoylimino]-5-chloro-4-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-(benzenesulfonyl)-1-oxopropyl]imino-5-chloro-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(benzenesulfonyl)propanoylimino]-5-chloro-4-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-besylpropanoylimino)-5-chloro-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21ClN2O5S2 MolecularWeight: 480.98484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2C)Cl)SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2C)Cl)SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O5S2/c1-3-29-19(26)13-24-20-14(2)16(22)9-10-17(20)30-21(24)23-18(25)11-12-31(27,28)15-7-5-4-6-8-15/h4-10H,3,11-13H2,1-2H3