ethyl 2-[2-[(4-aminophenyl)carbonyl-cyclohexyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-aminophenyl)carbonyl-cyclohexyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-aminobenzoyl)-cyclohexyl-amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[(4-aminophenyl)-oxomethyl]-cyclohexylamino]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-aminobenzoyl)-cyclohexylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(4-aminobenzoyl)-cyclohexyl-amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN(C3CCCCC3)C(=O)C4=CC=C(C=C4)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN(C3CCCCC3)C(=O)C4=CC=C(C=C4)N

InChI

InChI=1S/C26H33N3O4S/c1-2-33-26(32)23-20-10-6-7-11-21(20)34-24(23)28-22(30)16-29(19-8-4-3-5-9-19)25(31)17-12-14-18(27)15-13-17/h12-15,19H,2-11,16,27H2,1H3,(H,28,30)