2-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)thiazol-4-yl]acetic acid CAS Name: 2-[2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)thiazol-4-yl]acetic acid Formula: C14H14N2O3S2 MolecularWeight: 322.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NC3=NC(=CS3)CC(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NC3=NC(=CS3)CC(=O)O

InChI

InChI=1S/C14H14N2O3S2/c17-12(18)5-8-6-21-14(15-8)16-13(19)10-7-20-11-4-2-1-3-9(10)11/h6-7H,1-5H2,(H,17,18)(H,15,16,19)