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

Systemtic Name: methyl 3-[2-(4-ethoxyphenyl)carbonylimino-6-ethyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-ethoxybenzoyl)imino-6-ethyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-ethoxyphenyl)-oxomethyl]imino-6-ethyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-ethoxybenzoyl)imino-6-ethyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-ethoxybenzoyl)imino-6-ethyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-4-15-6-11-18-19(14-15)29-22(24(18)13-12-20(25)27-3)23-21(26)16-7-9-17(10-8-16)28-5-2/h6-11,14H,4-5,12-13H2,1-3H3