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

Systemtic Name: methyl 2-[6-nitro-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-nitro-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-(1-oxo-3-phenylpropyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-nitro-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(2-hydrocinnamoylimino-6-nitro-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C19H17N3O5S/c1-27-18(24)12-21-15-9-8-14(22(25)26)11-16(15)28-19(21)20-17(23)10-7-13-5-3-2-4-6-13/h2-6,8-9,11H,7,10,12H2,1H3