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

Systemtic Name: 4-[[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-4-keto-butyrate Formula: C15H17N2O3S- MolecularWeight: 305.37208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-2-9-3-4-10-11(8-16)15(21-12(10)7-9)17-13(18)5-6-14(19)20/h9H,2-7H2,1H3,(H,17,18)(H,19,20)/p-1/t9-/m1/s1