methyl 2-[5,6-dimethyl-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5,6-dimethyl-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-benzylsulfonylpropanoylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,6-dimethyl-2-[1-oxo-3-(phenylmethyl)sulfonylpropyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-benzylsulfonylpropanoylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-benzylsulfonylpropanoylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)N2CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)N2CC(=O)OC

InChI

InChI=1S/C22H24N2O5S2/c1-15-11-18-19(12-16(15)2)30-22(24(18)13-21(26)29-3)23-20(25)9-10-31(27,28)14-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13-14H2,1-3H3