3-(1,3-benzodioxol-5-yl)-N-[(S)-(4-methylphenyl)-thiophen-2-yl-methyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[(S)-(4-methylphenyl)-thiophen-2-yl-methyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[(S)-p-tolyl(2-thienyl)methyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[(S)-p-tolyl(2-thienyl)methyl]propionamide Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=CC=CS2)NC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21NO3S/c1-15-4-8-17(9-5-15)22(20-3-2-12-27-20)23-21(24)11-7-16-6-10-18-19(13-16)26-14-25-18/h2-6,8-10,12-13,22H,7,11,14H2,1H3,(H,23,24)/t22-/m0/s1