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

Systemtic Name: ethyl 3-(2-ethoxyethyl)-2-(4-nitrophenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxyethyl)-2-(4-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[(4-nitrophenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxyethyl)-2-(4-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-(4-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6S/c1-3-29-12-11-23-17-10-7-15(20(26)30-4-2)13-18(17)31-21(23)22-19(25)14-5-8-16(9-6-14)24(27)28/h5-10,13H,3-4,11-12H2,1-2H3