butyl 4-[2-[4-[[(Z)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]amino]phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[4-[[(Z)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]amino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-[[(Z)-2-benzamido-3-(2-thienyl)prop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-[[(Z)-2-benzamido-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-[[(Z)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-[[(Z)-2-benzamido-3-(2-thienyl)acryloyl]amino]phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C33H31N3O5S2 MolecularWeight: 613.74634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C(=CC3=CC=CS3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)/C(=C/C3=CC=CS3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C33H31N3O5S2/c1-2-3-19-41-33(40)24-11-13-25(14-12-24)34-30(37)22-43-27-17-15-26(16-18-27)35-32(39)29(21-28-10-7-20-42-28)36-31(38)23-8-5-4-6-9-23/h4-18,20-21H,2-3,19,22H2,1H3,(H,34,37)(H,35,39)(H,36,38)/b29-21-