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

Systemtic Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]amino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-[[(Z)-2-benzamido-3-(2-thienyl)prop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[(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-[3-[[(Z)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[[(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=CC(=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=CC(=C2)NC(=O)/C(=C/C3=CC=CS3)/NC(=O)C4=CC=CC=C4

InChI

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