ethyl 2-[6-chloranyl-2-[2-(4-ethoxyphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-chloranyl-2-[2-(4-ethoxyphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-chloro-2-[2-(4-ethoxyphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-chloro-2-[2-(4-ethoxyphenyl)-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-chloro-2-[2-(4-ethoxyphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-chloro-2-(2-p-phenetylacetyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC(=O)OCC

InChI

InChI=1S/C21H21ClN2O4S/c1-3-27-16-8-5-14(6-9-16)11-19(25)23-21-24(13-20(26)28-4-2)17-10-7-15(22)12-18(17)29-21/h5-10,12H,3-4,11,13H2,1-2H3