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

Systemtic Name: 5-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-5-keto-3,3-dimethyl-valerate Formula: C17H21N2O3S- MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-10-4-5-11-12(9-18)16(23-13(11)6-10)19-14(20)7-17(2,3)8-15(21)22/h10H,4-8H2,1-3H3,(H,19,20)(H,21,22)/p-1/t10-/m0/s1