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

Systemtic Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,5-dimethoxy-benzamide Openeye Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3,5-dimethoxy-benzamide CAS Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,5-dimethoxybenzamide IUPAC Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,5-dimethoxybenzamide Traditional Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3,5-dimethoxy-benzamide Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC(=C3)OC)OC)C#N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC(=C3)OC)OC)C#N

InChI

InChI=1S/C19H20N2O3S/c1-11-4-5-17-15(6-11)16(10-20)19(25-17)21-18(22)12-7-13(23-2)9-14(8-12)24-3/h7-9,11H,4-6H2,1-3H3,(H,21,22)/t11-/m0/s1