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

Systemtic Name: ethyl 3-[6-methyl-2-(4-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[6-methyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-methyl-2-[(4-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-methyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-methyl-2-(4-nitrobenzoyl)imino-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)C)SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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