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

Systemtic Name: methyl 2-[2-(3-methylsulfanylphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-methylsulfanylbenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[3-(methylthio)phenyl]-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-methylsulfanylbenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[3-(methylthio)benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S2/c1-26-16(22)10-20-14-7-6-12(21(24)25)9-15(14)28-18(20)19-17(23)11-4-3-5-13(8-11)27-2/h3-9H,10H2,1-2H3