ethyl 3-[2-(2,4-dimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(2,4-dimethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(2,4-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(2,4-dimethoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,4-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,4-dimethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N2O5S/c1-4-28-19(24)11-12-23-16-7-5-6-8-18(16)29-21(23)22-20(25)15-10-9-14(26-2)13-17(15)27-3/h5-10,13H,4,11-12H2,1-3H3