methyl 2-[2-(2-methylsulfanylphenyl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2-methylsulfanylphenyl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-methylsulfanylbenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[2-(methylthio)phenyl]-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-methylsulfanylbenzoyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(methylthio)benzoyl]imino-5-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=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC=C3SC

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC=C3SC

InChI

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