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

Systemtic Name: 2-[2-[[(6S)-3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethoxy]ethanoate Openeye Name: 2-[2-[[(6S)-3-cyano-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethoxy]acetate CAS Name: 2-[2-[[(6S)-3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethoxy]acetate IUPAC Name: 2-[2-[[(6S)-3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethoxy]acetate Traditional Name: 2-[2-[[(6S)-3-cyano-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethoxy]acetate Formula: C16H19N2O4S- MolecularWeight: 335.39806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S/c1-2-3-10-4-5-11-12(7-17)16(23-13(11)6-10)18-14(19)8-22-9-15(20)21/h10H,2-6,8-9H2,1H3,(H,18,19)(H,20,21)/p-1/t10-/m0/s1