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

Systemtic Name: (E)-4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-but-2-enoic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3S/c14-7-9-8-3-1-2-4-10(8)19-13(9)15-11(16)5-6-12(17)18/h5-6H,1-4H2,(H,15,16)(H,17,18)/b6-5+