ethyl 2-[6-ethoxy-2-(3-methoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-ethoxy-2-(3-methoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-(3-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[(3-methoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-(3-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-ethoxy-2-m-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=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)OC)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)OC)S2)CC(=O)OCC

InChI

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