ethyl (E)-4-[4-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbut-2-enoate

Systemtic Name: ethyl (E)-4-[4-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbut-2-enoate Openeye Name: ethyl (E)-4-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylbut-2-enoate CAS Name: (E)-4-[[4-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylbut-2-enoate Traditional Name: (E)-4-[[4-(veratroylamino)phenyl]thio]but-2-enoic acid ethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCSC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)/C=C/CSC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H23NO5S/c1-4-27-20(23)6-5-13-28-17-10-8-16(9-11-17)22-21(24)15-7-12-18(25-2)19(14-15)26-3/h5-12,14H,4,13H2,1-3H3,(H,22,24)/b6-5+