4-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyric acid Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC(=O)O

Isomeric SMILES

C[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC(=O)O

InChI

InChI=1S/C14H16N2O3S/c1-8-2-3-9-10(7-15)14(20-11(9)6-8)16-12(17)4-5-13(18)19/h8H,2-6H2,1H3,(H,16,17)(H,18,19)/t8-/m1/s1