ethyl (E)-3-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]phenyl]acrylic acid ethyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H19N3O3S/c1-2-26-19(25)12-9-14-7-10-15(11-8-14)21-18(24)13-27-20-22-16-5-3-4-6-17(16)23-20/h3-12H,2,13H2,1H3,(H,21,24)(H,22,23)/b12-9+