2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoate

Systemtic Name: 2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoate Openeye Name: 2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]benzoate CAS Name: 2-[[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-oxomethyl]benzoate IUPAC Name: 2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]benzoate Traditional Name: 2-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamoyl]benzoate Formula: C18H15N2O3S- MolecularWeight: 339.3883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C18H16N2O3S/c1-10-6-7-11-14(9-19)17(24-15(11)8-10)20-16(21)12-4-2-3-5-13(12)18(22)23/h2-5,10H,6-8H2,1H3,(H,20,21)(H,22,23)/p-1/t10-/m1/s1