methyl 3-[5,6-dimethoxy-2-(3-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[5,6-dimethoxy-2-(3-methylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[5,6-dimethoxy-2-(3-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[5,6-dimethoxy-2-[(3-methylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5,6-dimethoxy-2-(3-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(5,6-dimethoxy-2-m-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(=C1)C(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CCC(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CCC(=O)OC

InChI

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