methyl 3-[6-ethyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-ethyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-ethyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethyl-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-ethyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-ethyl-2-hydrocinnamoylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CCC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CCC(=O)OC

InChI

InChI=1S/C22H24N2O3S/c1-3-16-9-11-18-19(15-16)28-22(24(18)14-13-21(26)27-2)23-20(25)12-10-17-7-5-4-6-8-17/h4-9,11,15H,3,10,12-14H2,1-2H3