(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-indan-5-ylsulfanyl-propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydro-1H-inden-5-ylthio)propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanamide Traditional Name: (2S)-2-(indan-5-ylthio)-N-piperonyl-propionamide Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC4=C(CCC4)C=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C20H21NO3S/c1-13(25-17-7-6-15-3-2-4-16(15)10-17)20(22)21-11-14-5-8-18-19(9-14)24-12-23-18/h5-10,13H,2-4,11-12H2,1H3,(H,21,22)/t13-/m0/s1