ethyl 2-[2-(4-chlorophenyl)carbonylimino-4-ethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-chlorophenyl)carbonylimino-4-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-chlorobenzoyl)imino-4-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-chlorophenyl)-oxomethyl]imino-4-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chlorobenzoyl)imino-4-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-chlorobenzoyl)imino-4-ethoxy-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=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)Cl)N2CC(=O)OCC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)Cl)N2CC(=O)OCC

InChI

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