methyl 3-[5-methoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[5-methoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[5-methoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[5-methoxy-2-(1-oxo-3-phenoxypropyl)imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-methoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[5-methoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=NC(=O)CCOC3=CC=CC=C3)N2CCC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=NC(=O)CCOC3=CC=CC=C3)N2CCC(=O)OC

InChI

InChI=1S/C21H22N2O5S/c1-26-16-8-9-18-17(14-16)23(12-10-20(25)27-2)21(29-18)22-19(24)11-13-28-15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3