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

Systemtic Name: methyl N-[(6R)-3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamate Openeye Name: methyl N-[(6R)-3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamate CAS Name: N-[(6R)-3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(6R)-3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamate Traditional Name: N-[(6R)-3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamic acid methyl ester Formula: C17H16N2O2S MolecularWeight: 312.38614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)NC1=C(C2=C(S1)C[C@@H](CC2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C17H16N2O2S/c1-21-17(20)19-16-14(10-18)13-8-7-12(9-15(13)22-16)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,19,20)/t12-/m1/s1