methyl 4-[[2-(2-phenylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-(2-phenylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[2-[(1-oxo-2-phenylethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate Traditional Name: 4-[[2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoic acid methyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4S/c1-31-25(30)17-11-13-18(14-12-17)26-23(29)22-19-9-5-6-10-20(19)32-24(22)27-21(28)15-16-7-3-2-4-8-16/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3,(H,26,29)(H,27,28)