ethyl 4-[[2-phenyl-2-[4-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-phenyl-2-[4-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-phenyl-2-[4-(thiophene-2-carbonylamino)phenyl]sulfanyl-acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-phenyl-2-[4-(thiophene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-phenyl-2-[[4-(2-thenoylamino)phenyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C28H24N2O4S2 MolecularWeight: 516.63116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C28H24N2O4S2/c1-2-34-28(33)20-10-12-21(13-11-20)30-27(32)25(19-7-4-3-5-8-19)36-23-16-14-22(15-17-23)29-26(31)24-9-6-18-35-24/h3-18,25H,2H2,1H3,(H,29,31)(H,30,32)