ethyl (E)-3-[4-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-[(2-cyanophenyl)thio]benzoyl]amino]phenyl]acrylic acid ethyl ester Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C25H20N2O3S/c1-2-30-24(28)16-13-18-11-14-20(15-12-18)27-25(29)21-8-4-6-10-23(21)31-22-9-5-3-7-19(22)17-26/h3-16H,2H2,1H3,(H,27,29)/b16-13+