ethyl (E)-4-[4-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbut-2-enoate

Systemtic Name: ethyl (E)-4-[4-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbut-2-enoate Openeye Name: ethyl (E)-4-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylbut-2-enoate CAS Name: (E)-4-[[4-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylbut-2-enoate Traditional Name: (E)-4-[[4-[(2,6-dimethoxybenzoyl)amino]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=C(C=CC=C2OC)OC

Isomeric SMILES

CCOC(=O)/C=C/CSC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C21H23NO5S/c1-4-27-19(23)9-6-14-28-16-12-10-15(11-13-16)22-21(24)20-17(25-2)7-5-8-18(20)26-3/h5-13H,4,14H2,1-3H3,(H,22,24)/b9-6+