methyl 3-[4,7-dimethoxy-2-(2-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[4,7-dimethoxy-2-(2-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[4,7-dimethoxy-2-(2-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[(2-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4,7-dimethoxy-2-(2-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(4,7-dimethoxy-2-o-toluoylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N=C2N(C3=C(C=CC(=C3S2)OC)OC)CCC(=O)OC

InChI

InChI=1S/C21H22N2O5S/c1-13-7-5-6-8-14(13)20(25)22-21-23(12-11-17(24)28-4)18-15(26-2)9-10-16(27-3)19(18)29-21/h5-10H,11-12H2,1-4H3