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

Systemtic Name: ethyl 2-[6-chloranyl-2-(4-ethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-chloro-2-(4-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-chloro-2-[(4-ethoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-chloro-2-(4-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-chloro-2-(4-ethoxybenzoyl)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4S/c1-3-26-15-8-5-13(6-9-15)19(25)22-20-23(12-18(24)27-4-2)16-10-7-14(21)11-17(16)28-20/h5-11H,3-4,12H2,1-2H3