tert-butyl 2-(2-chloranyl-4-methylsulfanyl-phenyl)carbonyl-3-cyclopropyl-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-(2-chloranyl-4-methylsulfanyl-phenyl)carbonyl-3-cyclopropyl-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(2-chloro-4-methylsulfanyl-benzoyl)-3-cyclopropyl-3-oxo-propanoate CAS Name: 2-[[2-chloro-4-(methylthio)phenyl]-oxomethyl]-3-cyclopropyl-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-chloro-4-methylsulfanylbenzoyl)-3-cyclopropyl-3-oxopropanoate Traditional Name: 2-[2-chloro-4-(methylthio)benzoyl]-3-cyclopropyl-3-keto-propionic acid tert-butyl ester Formula: C18H21ClO4S MolecularWeight: 368.87494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C(C=C(C=C2)SC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C(C=C(C=C2)SC)Cl

InChI

InChI=1S/C18H21ClO4S/c1-18(2,3)23-17(22)14(15(20)10-5-6-10)16(21)12-8-7-11(24-4)9-13(12)19/h7-10,14H,5-6H2,1-4H3