N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methyl-4-propyl-thiophene-2-carboxamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methyl-4-propyl-thiophene-2-carboxamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methyl-4-propyl-thiophene-2-carboxamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methyl-4-propyl-2-thiophenecarboxamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methyl-4-propylthiophene-2-carboxamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-methyl-4-propyl-thiophene-2-carboxamide Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)NCC2COC3=CC=CC=C3O2)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)NC[C@H]2COC3=CC=CC=C3O2)C

InChI

InChI=1S/C18H21NO3S/c1-3-6-13-9-17(23-12(13)2)18(20)19-10-14-11-21-15-7-4-5-8-16(15)22-14/h4-5,7-9,14H,3,6,10-11H2,1-2H3,(H,19,20)/t14-/m0/s1