tert-butyl N-[3-oxidanylidene-1-phenyl-4-(thiophen-3-ylmethylsulfanyl)butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-1-phenyl-4-(thiophen-3-ylmethylsulfanyl)butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-oxo-3-(3-thienylmethylsulfanyl)propyl]carbamate CAS Name: N-[3-oxo-1-phenyl-4-(3-thiophenylmethylthio)butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-oxo-1-phenyl-4-(thiophen-3-ylmethylsulfanyl)butan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-keto-3-(3-thenylthio)propyl]carbamic acid tert-butyl ester Formula: C20H25NO3S2 MolecularWeight: 391.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CSC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CSC=C2

InChI

InChI=1S/C20H25NO3S2/c1-20(2,3)24-19(23)21-17(11-15-7-5-4-6-8-15)18(22)14-26-13-16-9-10-25-12-16/h4-10,12,17H,11,13-14H2,1-3H3,(H,21,23)