ethyl 2-[7-chloranyl-4-methyl-2-[3-(phenylsulfonyl)propanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[7-chloranyl-4-methyl-2-[3-(phenylsulfonyl)propanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[3-(benzenesulfonyl)propanoylimino]-7-chloro-4-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-(benzenesulfonyl)-1-oxopropyl]imino-7-chloro-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(benzenesulfonyl)propanoylimino]-7-chloro-4-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-besylpropanoylimino)-7-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=CC(=C2SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2SC1=NC(=O)CCS(=O)(=O)C3=CC=CC=C3)Cl)C

InChI

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