methyl 2-[(2Z)-5,7-dimethyl-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-5,7-dimethyl-2-(phenylsulfonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-(benzenesulfonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(benzenesulfonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(benzenesulfonylimino)-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-besylimino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NS(=O)(=O)C3=CC=CC=C3)S2)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(/C(=N/S(=O)(=O)C3=CC=CC=C3)/S2)CC(=O)OC)C

InChI

InChI=1S/C18H18N2O4S2/c1-12-9-13(2)17-15(10-12)20(11-16(21)24-3)18(25-17)19-26(22,23)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3/b19-18-