methyl 2-[6-ethoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-ethoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-(1-oxo-3-phenoxypropyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CC(=O)OC

InChI

InChI=1S/C21H22N2O5S/c1-3-27-16-9-10-17-18(13-16)29-21(23(17)14-20(25)26-2)22-19(24)11-12-28-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3