methyl 2-[2-(3-methylphenyl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(3-methylphenyl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-methylbenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-methylphenyl)-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-methylbenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-mesyl-2-m-toluoylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC

InChI

InChI=1S/C19H18N2O5S2/c1-12-5-4-6-13(9-12)18(23)20-19-21(11-17(22)26-2)15-8-7-14(28(3,24)25)10-16(15)27-19/h4-10H,11H2,1-3H3