methyl 2-[5-chloranyl-4-methyl-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[5-chloranyl-4-methyl-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5-chloro-4-methyl-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5-chloro-4-methyl-2-(1-oxo-3-phenoxypropyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-methyl-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-chloro-4-methyl-2-(3-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CC(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CC(=O)OC)Cl

InChI

InChI=1S/C20H19ClN2O4S/c1-13-15(21)8-9-16-19(13)23(12-18(25)26-2)20(28-16)22-17(24)10-11-27-14-6-4-3-5-7-14/h3-9H,10-12H2,1-2H3