methyl 3-[2-(4-ethanoylphenyl)carbonylimino-6-ethyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(4-ethanoylphenyl)carbonylimino-6-ethyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-acetylbenzoyl)imino-6-ethyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-acetylphenyl)-oxomethyl]imino-6-ethyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-acetylbenzoyl)imino-6-ethyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-acetylbenzoyl)imino-6-ethyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C)S2)CCC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)C(=O)C)S2)CCC(=O)OC

InChI

InChI=1S/C22H22N2O4S/c1-4-15-5-10-18-19(13-15)29-22(24(18)12-11-20(26)28-3)23-21(27)17-8-6-16(7-9-17)14(2)25/h5-10,13H,4,11-12H2,1-3H3