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

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,5-diethoxy-benzamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3,5-diethoxy-benzamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,5-diethoxybenzamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,5-diethoxybenzamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3,5-diethoxy-benzamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-4-25-15-9-14(10-16(11-15)26-5-2)20(24)23-21-18(12-22)17-7-6-13(3)8-19(17)27-21/h9-11,13H,4-8H2,1-3H3,(H,23,24)/t13-/m0/s1