methyl 2-[7-chloranyl-4-methoxy-2-(2-phenylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[7-chloranyl-4-methoxy-2-(2-phenylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[7-chloro-4-methoxy-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[7-chloro-4-methoxy-2-(1-oxo-2-phenylethyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-chloro-4-methoxy-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[7-chloro-4-methoxy-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=NC(=O)CC3=CC=CC=C3)N2CC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=NC(=O)CC3=CC=CC=C3)N2CC(=O)OC

InChI

InChI=1S/C19H17ClN2O4S/c1-25-14-9-8-13(20)18-17(14)22(11-16(24)26-2)19(27-18)21-15(23)10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3