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

Systemtic Name: 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate IUPAC Name: 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-butyrate Formula: C13H13N2O3S- MolecularWeight: 277.31892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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