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

Systemtic Name: methyl 2-[6-chloranyl-2-[2-(4-ethylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-chloro-2-[2-(4-ethylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-chloro-2-[2-(4-ethylphenyl)-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-chloro-2-[2-(4-ethylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-chloro-2-[2-(4-ethylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)Cl)CC(=O)OC

InChI

InChI=1S/C20H19ClN2O3S/c1-3-13-4-6-14(7-5-13)10-18(24)22-20-23(12-19(25)26-2)16-9-8-15(21)11-17(16)27-20/h4-9,11H,3,10,12H2,1-2H3