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

Systemtic Name: ethyl (E)-4-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylbut-2-enoate Openeye Name: ethyl (E)-4-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylbut-2-enoate CAS Name: (E)-4-[[4-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanylbut-2-enoate Traditional Name: (E)-4-[[4-(3,3-dimethylbutanoylamino)phenyl]thio]but-2-enoic acid ethyl ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3S/c1-5-22-17(21)7-6-12-23-15-10-8-14(9-11-15)19-16(20)13-18(2,3)4/h6-11H,5,12-13H2,1-4H3,(H,19,20)/b7-6+