(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-[(4-fluorophenyl)thio]-N-piperonyl-propionamide Formula: C19H19FN2O4S MolecularWeight: 390.428563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19FN2O4S/c1-12(23)22-16(10-27-15-5-3-14(20)4-6-15)19(24)21-9-13-2-7-17-18(8-13)26-11-25-17/h2-8,16H,9-11H2,1H3,(H,21,24)(H,22,23)/t16-/m1/s1