(2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-(thiophen-2-ylmethyl)butanamide

Systemtic Name: (2S)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-(thiophen-2-ylmethyl)butanamide Openeye Name: (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(2-thienylmethyl)butanamide CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]-N-(thiophen-2-ylmethyl)butanamide IUPAC Name: (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(thiophen-2-ylmethyl)butanamide Traditional Name: (2S)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]-N-(2-thenyl)butyramide Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=CS1)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC=CS1)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O3S2/c1-24-11-9-16(18(22)19-12-15-8-5-10-25-15)20-17(21)13-23-14-6-3-2-4-7-14/h2-8,10,16H,9,11-13H2,1H3,(H,19,22)(H,20,21)/t16-/m0/s1