ethyl 2-[[3-(2-methylpropanoylamino)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(2-methylpropanoylamino)phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[3-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(isobutyrylamino)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC=C3)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC=C3)NC(=O)C(C)C

InChI

InChI=1S/C22H26N2O4S/c1-4-28-22(27)18-16-10-5-6-11-17(16)29-21(18)24-20(26)14-8-7-9-15(12-14)23-19(25)13(2)3/h7-9,12-13H,4-6,10-11H2,1-3H3,(H,23,25)(H,24,26)