ethyl 3-[(4-chlorophenyl)carbonylamino]-7-(diethanoylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[(4-chlorophenyl)carbonylamino]-7-(diethanoylamino)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4-chlorobenzoyl)amino]-7-(diacetylamino)benzothiophene-2-carboxylate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]-7-(diacetylamino)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-chlorobenzoyl)amino]-7-(diacetylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-chlorobenzoyl)amino]-7-(diacetylamino)benzothiophene-2-carboxylic acid ethyl ester Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C(=CC=C2)N(C(=O)C)C(=O)C)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C(=CC=C2)N(C(=O)C)C(=O)C)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H19ClN2O5S/c1-4-30-22(29)20-18(24-21(28)14-8-10-15(23)11-9-14)16-6-5-7-17(19(16)31-20)25(12(2)26)13(3)27/h5-11H,4H2,1-3H3,(H,24,28)