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

Systemtic Name: ethyl 2-[2-[2-(4-methylphenyl)sulfanylethanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C20H19N3O5S2/c1-3-28-19(25)11-22-16-10-14(23(26)27)6-9-17(16)30-20(22)21-18(24)12-29-15-7-4-13(2)5-8-15/h4-10H,3,11-12H2,1-2H3