ethyl 2-[6-chloranyl-4-methyl-2-[3-(phenylsulfonyl)propanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-chloranyl-4-methyl-2-[3-(phenylsulfonyl)propanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[3-(benzenesulfonyl)propanoylimino]-6-chloro-4-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-(benzenesulfonyl)-1-oxopropyl]imino-6-chloro-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(benzenesulfonyl)propanoylimino]-6-chloro-4-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-besylpropanoylimino)-6-chloro-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21ClN2O5S2 MolecularWeight: 480.98484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=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)11-15(22)12-17(20)30-21(24)23-18(25)9-10-31(27,28)16-7-5-4-6-8-16/h4-8,11-12H,3,9-10,13H2,1-2H3