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

Systemtic Name: (E)-4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-methyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-methyl-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-methyl-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-methyl-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-4-keto-2-methyl-but-2-enoic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C2=C(S1)CCCC2)C#N)C(=O)O

Isomeric SMILES

C/C(=C\C(=O)NC1=C(C2=C(S1)CCCC2)C#N)/C(=O)O

InChI

InChI=1S/C14H14N2O3S/c1-8(14(18)19)6-12(17)16-13-10(7-15)9-4-2-3-5-11(9)20-13/h6H,2-5H2,1H3,(H,16,17)(H,18,19)/b8-6+