methyl 2-[(2Z)-2-(4-methoxyphenyl)sulfonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-2-(4-methoxyphenyl)sulfonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-6-isopropyl-2-(4-methoxyphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-(4-methoxyphenyl)sulfonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-(4-methoxyphenyl)sulfonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-isopropyl-2-(4-methoxyphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(C=C3)OC)S2)CC(=O)OC

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=C(C=C3)OC)/S2)CC(=O)OC

InChI

InChI=1S/C20H22N2O5S2/c1-13(2)14-5-10-17-18(11-14)28-20(22(17)12-19(23)27-4)21-29(24,25)16-8-6-15(26-3)7-9-16/h5-11,13H,12H2,1-4H3/b21-20-