ethyl 3-ethyl-2-(4-nitrophenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-ethyl-2-(4-nitrophenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[(4-nitrophenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S/c1-3-21-15-10-7-13(18(24)27-4-2)11-16(15)28-19(21)20-17(23)12-5-8-14(9-6-12)22(25)26/h5-11H,3-4H2,1-2H3