ethyl 3-(2-ethoxyethyl)-2-(5-nitrothiophen-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-ethoxyethyl)-2-(5-nitrothiophen-2-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxyethyl)-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[(5-nitro-2-thiophenyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxyethyl)-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H19N3O6S2 MolecularWeight: 449.50066

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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(S3)[N+](=O)[O-]

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6S2/c1-3-27-10-9-21-13-6-5-12(18(24)28-4-2)11-15(13)30-19(21)20-17(23)14-7-8-16(29-14)22(25)26/h5-8,11H,3-4,9-10H2,1-2H3