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

Systemtic Name: 2-[2-[[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethoxy]ethanoate Openeye Name: 2-[2-[[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethoxy]acetate CAS Name: 2-[2-[[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethoxy]acetate IUPAC Name: 2-[2-[[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethoxy]acetate Traditional Name: 2-[2-[[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethoxy]acetate Formula: C15H17N2O4S- MolecularWeight: 321.37148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)COCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S/c1-2-9-3-4-10-11(6-16)15(22-12(10)5-9)17-13(18)7-21-8-14(19)20/h9H,2-5,7-8H2,1H3,(H,17,18)(H,19,20)/p-1/t9-/m0/s1