N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-propoxy-benzamide

Systemtic Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-propoxy-benzamide Openeye Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-propoxy-benzamide CAS Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-propoxybenzamide IUPAC Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-propoxybenzamide Traditional Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-propoxy-benzamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCC(C3)C)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC[C@@H](C3)C)C#N

InChI

InChI=1S/C20H22N2O2S/c1-3-10-24-15-7-5-14(6-8-15)19(23)22-20-17(12-21)16-11-13(2)4-9-18(16)25-20/h5-8,13H,3-4,9-11H2,1-2H3,(H,22,23)/t13-/m0/s1