5-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]methyl]furan-2-carboxylic acid CAS Name: 5-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]methyl]furan-2-carboxylic acid Traditional Name: 5-[[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]methyl]-2-furoic acid Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NCC3=CC=C(O3)C(=O)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NCC3=CC=C(O3)C(=O)O)C#N

InChI

InChI=1S/C15H14N2O3S/c16-7-11-10-3-1-2-4-13(10)21-14(11)17-8-9-5-6-12(20-9)15(18)19/h5-6,17H,1-4,8H2,(H,18,19)