ethyl 4-[[2-phenyl-2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-phenyl-2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-phenyl-2-[3-(thiophene-2-carbonylamino)phenyl]sulfanyl-acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-phenyl-2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-phenyl-2-[[3-(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=CC(=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

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

InChI

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