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

Systemtic Name: methyl 2-[[2-phenyl-2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanyl-ethanoyl]amino]benzoate Openeye Name: methyl 2-[[2-phenyl-2-[3-(thiophene-2-carbonylamino)phenyl]sulfanyl-acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-phenyl-2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-phenyl-2-[[3-(2-thenoylamino)phenyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C27H22N2O4S2 MolecularWeight: 502.60458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C27H22N2O4S2/c1-33-27(32)21-13-5-6-14-22(21)29-26(31)24(18-9-3-2-4-10-18)35-20-12-7-11-19(17-20)28-25(30)23-15-8-16-34-23/h2-17,24H,1H3,(H,28,30)(H,29,31)