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

Systemtic Name: methyl 2-[6-methyl-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-benzylsulfonylpropanoylimino)-6-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methyl-2-[1-oxo-3-(phenylmethyl)sulfonylpropyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-benzylsulfonylpropanoylimino)-6-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-benzylsulfonylpropanoylimino)-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CC(=O)OC

InChI

InChI=1S/C21H22N2O5S2/c1-15-8-9-17-18(12-15)29-21(23(17)13-20(25)28-2)22-19(24)10-11-30(26,27)14-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3