methyl 2-[2-[2-(4-methylphenyl)ethanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(4-methylphenyl)ethanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5-nitro-2-[2-(p-tolyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(4-methylphenyl)-1-oxoethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-methylphenyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-nitro-2-[2-(p-tolyl)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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