ethyl 5-[[4-(2-methylpropanoylamino)phenyl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[[4-(2-methylpropanoylamino)phenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[4-(2-methylpropanoylamino)benzoyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[4-(isobutyrylamino)benzoyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)NC(=O)C(C)C

InChI

InChI=1S/C22H22N2O4S/c1-4-28-22(27)19-12-15-11-17(9-10-18(15)29-19)24-21(26)14-5-7-16(8-6-14)23-20(25)13(2)3/h5-13H,4H2,1-3H3,(H,23,25)(H,24,26)