4-[[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(6S)-3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(6S)-6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyrate Formula: C18H23N2O3S- MolecularWeight: 347.45182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3S/c1-4-18(2,3)11-5-6-12-13(10-19)17(24-14(12)9-11)20-15(21)7-8-16(22)23/h11H,4-9H2,1-3H3,(H,20,21)(H,22,23)/p-1/t11-/m0/s1