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

Systemtic Name: ethyl 2-[7-chloranyl-4-methoxy-2-(2-phenylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2SC1=NC(=O)CC3=CC=CC=C3)Cl)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2SC1=NC(=O)CC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C20H19ClN2O4S/c1-3-27-17(25)12-23-18-15(26-2)10-9-14(21)19(18)28-20(23)22-16(24)11-13-7-5-4-6-8-13/h4-10H,3,11-12H2,1-2H3