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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-2-4-11-7-8-12-13(10-18)17(23-14(12)9-11)19-15(20)5-3-6-16(21)22/h11H,2-9H2,1H3,(H,19,20)(H,21,22)/p-1/t11-/m1/s1