4-[(2-cyano-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-cyano-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-cyano-4,5,6,7-tetrahydrobenzothiophen-3-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(2-cyano-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(2-cyano-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(2-cyano-4,5,6,7-tetrahydrobenzothiophen-3-yl)amino]-4-keto-butyric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)C#N)NC(=O)CCC(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)C#N)NC(=O)CCC(=O)O

InChI

InChI=1S/C13H14N2O3S/c14-7-10-13(15-11(16)5-6-12(17)18)8-3-1-2-4-9(8)19-10/h1-6H2,(H,15,16)(H,17,18)