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

Systemtic Name: methyl 2-[2-(3-ethylsulfanylphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-ethylsulfanylbenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[3-(ethylthio)phenyl]-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-ethylsulfanylbenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[3-(ethylthio)benzoyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C19H17N3O5S2/c1-3-28-14-6-4-5-12(9-14)18(24)20-19-21(11-17(23)27-2)15-8-7-13(22(25)26)10-16(15)29-19/h4-10H,3,11H2,1-2H3