butyl 4-[2-[3-[[(E)-2-benzamido-3-naphthalen-1-yl-prop-2-enoyl]amino]phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-[[(E)-2-benzamido-3-naphthalen-1-yl-prop-2-enoyl]amino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-[[(E)-2-benzamido-3-(1-naphthyl)prop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[(E)-2-benzamido-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-[[(E)-2-benzamido-3-naphthalen-1-ylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[[(E)-2-benzamido-3-(1-naphthyl)acryloyl]amino]phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C39H35N3O5S MolecularWeight: 657.7773

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)C(=CC3=CC=CC4=CC=CC=C43)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)/C(=C\C3=CC=CC4=CC=CC=C43)/NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C39H35N3O5S/c1-2-3-23-47-39(46)29-19-21-31(22-20-29)40-36(43)26-48-33-17-10-16-32(25-33)41-38(45)35(42-37(44)28-12-5-4-6-13-28)24-30-15-9-14-27-11-7-8-18-34(27)30/h4-22,24-25H,2-3,23,26H2,1H3,(H,40,43)(H,41,45)(H,42,44)/b35-24+