ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H15ClN2O5S2 MolecularWeight: 486.9479

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H15ClN2O5S2/c1-2-30-22(27)17-15(12-6-5-7-13(10-12)25(28)29)11-31-21(17)24-20(26)19-18(23)14-8-3-4-9-16(14)32-19/h3-11H,2H2,1H3,(H,24,26)