methyl 3-[2-(4-ethanoylphenyl)carbonylimino-5-methoxy-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(4-ethanoylphenyl)carbonylimino-5-methoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-acetylbenzoyl)imino-5-methoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-acetylphenyl)-oxomethyl]imino-5-methoxy-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-acetylbenzoyl)imino-5-methoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-acetylbenzoyl)imino-5-methoxy-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)OC)CCC(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)OC)CCC(=O)OC

InChI

InChI=1S/C21H20N2O5S/c1-13(24)14-4-6-15(7-5-14)20(26)22-21-23(11-10-19(25)28-3)17-12-16(27-2)8-9-18(17)29-21/h4-9,12H,10-11H2,1-3H3