ethyl 3-(2-ethoxyethyl)-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-ethoxyethyl)-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxyethyl)-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxyethyl)-2-(5-nitro-1-benzothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxyethyl)-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H21N3O6S2 MolecularWeight: 499.55934

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O6S2/c1-3-31-10-9-25-17-7-5-14(22(28)32-4-2)12-19(17)34-23(25)24-21(27)20-13-15-11-16(26(29)30)6-8-18(15)33-20/h5-8,11-13H,3-4,9-10H2,1-2H3