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

Systemtic Name: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 3-cyclopentylpropanoate Openeye Name: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic 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] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl] ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)CCC3CCCC3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)CCC3CCCC3

InChI

InChI=1S/C20H26N2O3S/c1-13-6-8-15-16(11-21)20(26-17(15)10-13)22-18(23)12-25-19(24)9-7-14-4-2-3-5-14/h13-14H,2-10,12H2,1H3,(H,22,23)/t13-/m0/s1