[2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-methyl-2-phenyl-propanoate

Systemtic Name: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-methyl-2-phenyl-propanoate Openeye Name: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] 2-methyl-2-phenyl-propanoate CAS Name: 2-methyl-2-phenylpropanoic acid [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-methyl-2-phenylpropanoate Traditional Name: 2-methyl-2-phenyl-propionic acid [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-14-9-10-16-17(12-23)20(28-18(16)11-14)24-19(25)13-27-21(26)22(2,3)15-7-5-4-6-8-15/h4-8,14H,9-11,13H2,1-3H3,(H,24,25)/t14-/m0/s1