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

Systemtic Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-thiophen-2-yl-prop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-(2-thienyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(Z)-2-benzamido-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-[[(Z)-2-benzamido-3-(2-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=CC=CS3)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=CC=CS3)/NC(=O)C4=CC=CC=C4

InChI

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