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

Systemtic Name: ethyl 3-[2-(4-ethanoylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(4-acetylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-acetylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-acetylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-acetylbenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-3-27-19(25)12-13-23-17-6-4-5-7-18(17)28-21(23)22-20(26)16-10-8-15(9-11-16)14(2)24/h4-11H,3,12-13H2,1-2H3