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

Systemtic Name: methyl 3-[2-(3,4-dimethylphenyl)carbonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(3,4-dimethylbenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(3,4-dimethylphenyl)-oxomethyl]imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dimethylbenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(3,4-dimethylbenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-13-6-7-15(12-14(13)2)21(26)23-22-24(11-10-18(25)29-5)19-16(27-3)8-9-17(28-4)20(19)30-22/h6-9,12H,10-11H2,1-5H3