methyl 3-[6-methyl-2-(phenylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-methyl-2-(phenylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-(2-benzoylimino-6-methyl-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-benzoylimino-6-methyl-1,3-benzothiazol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-benzoylimino-6-methyl-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-benzoylimino-6-methyl-1,3-benzothiazol-3-yl)propionic 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)S2)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c1-13-8-9-15-16(12-13)25-19(21(15)11-10-17(22)24-2)20-18(23)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3