ethyl 4-[2-[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)-1-oxoprop-2-enyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)acryloyl]amino]phenyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C35H33N3O6S MolecularWeight: 623.71802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C(=CC3=CC(=CC=C3)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)/C(=C/C3=CC(=CC=C3)OC)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C35H33N3O6S/c1-4-44-35(42)26-13-15-27(16-14-26)36-32(39)23(2)45-30-19-17-28(18-20-30)37-34(41)31(22-24-9-8-12-29(21-24)43-3)38-33(40)25-10-6-5-7-11-25/h5-23H,4H2,1-3H3,(H,36,39)(H,37,41)(H,38,40)/b31-22-