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

Systemtic Name: methyl 2-[6-ethyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-ethyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethyl-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-ethyl-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-ethyl-2-hydrocinnamoylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-3-15-9-11-17-18(13-15)27-21(23(17)14-20(25)26-2)22-19(24)12-10-16-7-5-4-6-8-16/h4-9,11,13H,3,10,12,14H2,1-2H3