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

Systemtic Name: methyl 2-[2-[2-(4-methylphenyl)sulfanylethanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5-nitro-2-[2-(p-tolylsulfanyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-[(4-methylphenyl)thio]-1-oxoethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-methylphenyl)sulfanylacetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-nitro-2-[2-(p-tolylthio)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S2/c1-12-3-6-14(7-4-12)28-11-17(23)20-19-21(10-18(24)27-2)15-9-13(22(25)26)5-8-16(15)29-19/h3-9H,10-11H2,1-2H3