ethyl 3-[2-(4-methylphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(4-methylphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(4-methylbenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-methylphenyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-methylbenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-nitro-2-p-toluoylimino-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H19N3O5S/c1-3-28-18(24)10-11-22-16-9-8-15(23(26)27)12-17(16)29-20(22)21-19(25)14-6-4-13(2)5-7-14/h4-9,12H,3,10-11H2,1-2H3