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

Systemtic Name: ethyl 3-[2-(4-propan-2-yloxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(4-isopropoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[oxo-(4-propan-2-yloxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-propan-2-yloxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-isopropoxybenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-4-27-20(25)13-14-24-18-7-5-6-8-19(18)29-22(24)23-21(26)16-9-11-17(12-10-16)28-15(2)3/h5-12,15H,4,13-14H2,1-3H3