2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylamino)cyclopropane-1,1-dicarboxylic acid

Systemtic Name: 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylamino)cyclopropane-1,1-dicarboxylic acid Openeye Name: 2-(4,5,6,7-tetrahydrobenzothiophen-3-ylamino)cyclopropane-1,1-dicarboxylic acid CAS Name: 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylamino)cyclopropane-1,1-dicarboxylic acid IUPAC Name: 2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylamino)cyclopropane-1,1-dicarboxylic acid Traditional Name: 2-(4,5,6,7-tetrahydrobenzothiophen-3-ylamino)cyclopropane-1,1-dicarboxylic acid Formula: C13H15NO4S MolecularWeight: 281.3275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)NC3CC3(C(=O)O)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)NC3CC3(C(=O)O)C(=O)O

InChI

InChI=1S/C13H15NO4S/c15-11(16)13(12(17)18)5-10(13)14-8-6-19-9-4-2-1-3-7(8)9/h6,10,14H,1-5H2,(H,15,16)(H,17,18)