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

Systemtic Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-thiophen-3-yl-prop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-(3-thienyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(Z)-2-benzamido-1-oxo-3-(3-thiophenyl)prop-2-enyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-thiophen-3-ylprop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-[[(Z)-2-benzamido-3-(3-thienyl)acryloyl]amino]phenyl]thio]butanoylamino]benzoic acid butyl ester Formula: C35H35N3O5S2 MolecularWeight: 641.7995

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C(=CC3=CSC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)/C(=C/C3=CSC=C3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C35H35N3O5S2/c1-3-5-19-43-35(42)26-14-16-27(17-15-26)36-34(41)31(4-2)45-29-13-9-12-28(22-29)37-33(40)30(21-24-18-20-44-23-24)38-32(39)25-10-7-6-8-11-25/h6-18,20-23,31H,3-5,19H2,1-2H3,(H,36,41)(H,37,40)(H,38,39)/b30-21-