methyl 2-[6-acetamido-2-[2-(4-chloranylphenoxy)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-acetamido-2-[2-(4-chloranylphenoxy)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-[2-(4-chlorophenoxy)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[2-(4-chlorophenoxy)-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-[2-(4-chlorophenoxy)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-[2-(4-chlorophenoxy)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H18ClN3O5S MolecularWeight: 447.89202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=C(C=C3)Cl)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)COC3=CC=C(C=C3)Cl)S2)CC(=O)OC

InChI

InChI=1S/C20H18ClN3O5S/c1-12(25)22-14-5-8-16-17(9-14)30-20(24(16)10-19(27)28-2)23-18(26)11-29-15-6-3-13(21)4-7-15/h3-9H,10-11H2,1-2H3,(H,22,25)