methyl 3-[6-ethyl-2-(2-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-ethyl-2-(2-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-ethyl-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethyl-2-[(2-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-ethyl-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-ethyl-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])S2)CCC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])S2)CCC(=O)OC

InChI

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