methyl 4-[3-[4-[[(Z)-2-benzamido-3-pyridin-3-yl-prop-2-enoyl]amino]phenyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: methyl 4-[3-[4-[[(Z)-2-benzamido-3-pyridin-3-yl-prop-2-enoyl]amino]phenyl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: methyl 4-[3-[4-[[(Z)-2-benzamido-3-(3-pyridyl)prop-2-enoyl]amino]phenyl]sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[[4-[[(Z)-2-benzamido-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]phenyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-[[(Z)-2-benzamido-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[[4-[[(Z)-2-benzamido-3-(3-pyridyl)acryloyl]amino]phenyl]thio]-2,5-diketo-pyrrolidino]benzoic acid methyl ester Formula: C33H26N4O6S MolecularWeight: 606.64774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=C(C=C3)NC(=O)C(=CC4=CN=CC=C4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=C(C=C3)NC(=O)/C(=C/C4=CN=CC=C4)/NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H26N4O6S/c1-43-33(42)23-9-13-25(14-10-23)37-29(38)19-28(32(37)41)44-26-15-11-24(12-16-26)35-31(40)27(18-21-6-5-17-34-20-21)36-30(39)22-7-3-2-4-8-22/h2-18,20,28H,19H2,1H3,(H,35,40)(H,36,39)/b27-18-