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

Systemtic Name: methyl 2-[2-(3,4-dimethylphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3,4-dimethylbenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3,4-dimethylphenyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethylbenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3,4-dimethylbenzoyl)imino-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S/c1-11-4-5-13(8-12(11)2)18(24)20-19-21(10-17(23)27-3)15-7-6-14(22(25)26)9-16(15)28-19/h4-9H,10H2,1-3H3