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

Systemtic Name: ethyl 2-[4-ethoxy-2-(4-methoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-ethoxy-2-(4-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-ethoxy-2-[(4-methoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-ethoxy-2-(4-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(4-ethoxy-2-p-anisoylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-4-27-16-7-6-8-17-19(16)23(13-18(24)28-5-2)21(29-17)22-20(25)14-9-11-15(26-3)12-10-14/h6-12H,4-5,13H2,1-3H3