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

Systemtic Name: ethyl 2-[6-methyl-2-(4-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-methyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methyl-2-[(4-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-methyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-methyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S/c1-3-27-17(23)11-21-15-9-4-12(2)10-16(15)28-19(21)20-18(24)13-5-7-14(8-6-13)22(25)26/h4-10H,3,11H2,1-2H3