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

Systemtic Name: ethyl 2-[6-ethyl-2-(3-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethyl-2-[(3-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl 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)CC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c1-3-13-8-9-16-17(10-13)29-20(22(16)12-18(24)28-4-2)21-19(25)14-6-5-7-15(11-14)23(26)27/h5-11H,3-4,12H2,1-2H3