(2S)-2-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanylbutanamide Traditional Name: (2S)-2-amino-4-(methylthio)-N-piperonyl-butyramide Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC2=C(C=C1)OCO2)N

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)N

InChI

InChI=1S/C13H18N2O3S/c1-19-5-4-10(14)13(16)15-7-9-2-3-11-12(6-9)18-8-17-11/h2-3,6,10H,4-5,7-8,14H2,1H3,(H,15,16)/t10-/m0/s1