ethyl 4-[2-[3-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-[(2,6-dimethoxybenzoyl)amino]phenyl]thio]propanoylamino]benzoic acid ethyl ester Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C27H28N2O6S/c1-5-35-27(32)18-12-14-19(15-13-18)28-25(30)17(2)36-21-9-6-8-20(16-21)29-26(31)24-22(33-3)10-7-11-23(24)34-4/h6-17H,5H2,1-4H3,(H,28,30)(H,29,31)