(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-phenylsulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-phenylsulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-phenylsulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(phenylthio)propanamide IUPAC Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-phenylsulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-(phenylthio)-N-piperonyl-propionamide Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC=C1)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC=C1)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H20N2O4S/c1-13(22)21-16(11-26-15-5-3-2-4-6-15)19(23)20-10-14-7-8-17-18(9-14)25-12-24-17/h2-9,16H,10-12H2,1H3,(H,20,23)(H,21,22)/t16-/m1/s1