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

Systemtic Name: methyl 2-[6-methyl-2-(3-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methyl-2-(3-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methyl-2-[(3-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methyl-2-(3-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-methyl-2-m-toluoylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c1-12-5-4-6-14(9-12)18(23)20-19-21(11-17(22)24-3)15-8-7-13(2)10-16(15)25-19/h4-10H,11H2,1-3H3