N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-ethoxyphenyl)propanamide

Systemtic Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-ethoxyphenyl)propanamide Openeye Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(4-ethoxyphenyl)propanamide CAS Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-ethoxyphenyl)propanamide IUPAC Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-ethoxyphenyl)propanamide Traditional Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-p-phenetyl-propionamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C)C#N

InChI

InChI=1S/C21H24N2O2S/c1-3-25-16-8-5-15(6-9-16)7-11-20(24)23-21-18(13-22)17-10-4-14(2)12-19(17)26-21/h5-6,8-9,14H,3-4,7,10-12H2,1-2H3,(H,23,24)/t14-/m1/s1