ethyl 4-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[4-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,3-dimethylbutanoylamino)phenyl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[4-(3,3-dimethylbutanoylamino)phenyl]thio]-3-keto-butyric acid ethyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4S/c1-5-23-17(22)10-14(20)12-24-15-8-6-13(7-9-15)19-16(21)11-18(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,19,21)