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

Systemtic Name: methyl 2-[(2Z)-6-ethyl-2-(4-methoxyphenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-6-ethyl-2-(4-methoxyphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-6-ethyl-2-(4-methoxyphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-6-ethyl-2-(4-methoxyphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-ethyl-2-(4-methoxyphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(C=C3)OC)S2)CC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=C(C=C3)OC)/S2)CC(=O)OC

InChI

InChI=1S/C19H20N2O5S2/c1-4-13-5-10-16-17(11-13)27-19(21(16)12-18(22)26-3)20-28(23,24)15-8-6-14(25-2)7-9-15/h5-11H,4,12H2,1-3H3/b20-19-