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

Systemtic Name: butyl 4-[2-[3-[[(Z)-2-benzamido-3-thiophen-3-yl-prop-2-enoyl]amino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-[[(Z)-2-benzamido-3-(3-thienyl)prop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[(Z)-2-benzamido-1-oxo-3-(3-thiophenyl)prop-2-enyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-[[(Z)-2-benzamido-3-thiophen-3-ylprop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-[[(Z)-2-benzamido-3-(3-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=CSC=C3)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=CSC=C3)/NC(=O)C4=CC=CC=C4

InChI

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