4-[6-(methoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[6-(methoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[6-(methoxycarbonylamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-oxo-butanoic acid CAS Name: 4-[6-(methoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[6-(methoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-oxobutanoic acid Traditional Name: 4-[6-(carbomethoxyamino)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-keto-butyric acid Formula: C14H17NO5S MolecularWeight: 311.35348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1CCC2=C(C1)SC(=C2)C(=O)CCC(=O)O

Isomeric SMILES

COC(=O)NC1CCC2=C(C1)SC(=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C14H17NO5S/c1-20-14(19)15-9-3-2-8-6-12(21-11(8)7-9)10(16)4-5-13(17)18/h6,9H,2-5,7H2,1H3,(H,15,19)(H,17,18)