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

Systemtic Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3,4-dimethoxy-benzamide CAS Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,4-dimethoxybenzamide Traditional Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3,4-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(=C(C=C3)OC)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S/c1-11-4-7-17-13(8-11)14(10-20)19(25-17)21-18(22)12-5-6-15(23-2)16(9-12)24-3/h5-6,9,11H,4,7-8H2,1-3H3,(H,21,22)/t11-/m0/s1