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

Systemtic Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(3,4-dimethoxyphenyl)propanamide Openeye Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(3,4-dimethoxyphenyl)propanamide CAS Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(3,4-dimethoxyphenyl)propanamide IUPAC Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(3,4-dimethoxyphenyl)propanamide Traditional Name: N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(3,4-dimethoxyphenyl)propionamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H24N2O3S/c1-13-4-7-15-16(12-22)21(27-19(15)10-13)23-20(24)9-6-14-5-8-17(25-2)18(11-14)26-3/h5,8,11,13H,4,6-7,9-10H2,1-3H3,(H,23,24)/t13-/m1/s1