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

Systemtic Name: methyl 2-[2-[3-(4-methylphenyl)sulfanylpropanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5-nitro-2-[3-(p-tolylsulfanyl)propanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[3-[(4-methylphenyl)thio]-1-oxopropyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[3-(4-methylphenyl)sulfanylpropanoylimino]-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-nitro-2-[3-(p-tolylthio)propanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S2/c1-13-3-6-15(7-4-13)29-10-9-18(24)21-20-22(12-19(25)28-2)16-11-14(23(26)27)5-8-17(16)30-20/h3-8,11H,9-10,12H2,1-2H3