methyl 3-[2-(4-methylphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(4-methylphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-methylbenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-methylphenyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-methylbenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-nitro-2-p-toluoylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCC(=O)OC

InChI

InChI=1S/C19H17N3O5S/c1-12-3-5-13(6-4-12)18(24)20-19-21(10-9-17(23)27-2)15-8-7-14(22(25)26)11-16(15)28-19/h3-8,11H,9-10H2,1-2H3