methyl 3-[5-methoxy-2-(4-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[5-methoxy-2-(4-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[5-methoxy-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[5-methoxy-2-[(4-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-methoxy-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[5-methoxy-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N2CCC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N2CCC(=O)OC

InChI

InChI=1S/C19H17N3O6S/c1-27-14-7-8-16-15(11-14)21(10-9-17(23)28-2)19(29-16)20-18(24)12-3-5-13(6-4-12)22(25)26/h3-8,11H,9-10H2,1-2H3