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

Systemtic Name: methyl 2-[6-methoxy-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methoxy-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methoxy-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methoxy-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(2-hydrocinnamoylimino-6-methoxy-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CC(=O)OC

InChI

InChI=1S/C20H20N2O4S/c1-25-15-9-10-16-17(12-15)27-20(22(16)13-19(24)26-2)21-18(23)11-8-14-6-4-3-5-7-14/h3-7,9-10,12H,8,11,13H2,1-2H3