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

Systemtic Name: ethyl 2-[2-(4-ethoxyphenyl)carbonylimino-4-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-ethoxybenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-ethoxyphenyl)-oxomethyl]imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-ethoxybenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-ethoxybenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)C)CC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)C)CC(=O)OCC

InChI

InChI=1S/C21H22N2O4S/c1-4-26-16-11-9-15(10-12-16)20(25)22-21-23(13-18(24)27-5-2)19-14(3)7-6-8-17(19)28-21/h6-12H,4-5,13H2,1-3H3