methyl 2-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[4-[[(E)-3-phenylacryloyl]amino]phenyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H22N2O4S/c1-31-25(30)21-9-5-6-10-22(21)27-24(29)17-32-20-14-12-19(13-15-20)26-23(28)16-11-18-7-3-2-4-8-18/h2-16H,17H2,1H3,(H,26,28)(H,27,29)/b16-11+