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

Systemtic Name: methyl 3-[2-(4-ethanoylphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CCC(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CCC(=O)OC

InChI

InChI=1S/C20H18N2O4S/c1-13(23)14-7-9-15(10-8-14)19(25)21-20-22(12-11-18(24)26-2)16-5-3-4-6-17(16)27-20/h3-10H,11-12H2,1-2H3