methyl 3-oxidanyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)propanoate

Systemtic Name: methyl 3-oxidanyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)propanoate Openeye Name: methyl 3-hydroxy-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)propanoate CAS Name: 3-hydroxy-2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)propanoate Traditional Name: 3-hydroxy-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)propionic acid methyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CC2=C(S1)CCCC2

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1=CC2=C(S1)CCCC2

InChI

InChI=1S/C13H17NO4S/c1-18-13(17)9(7-15)14-12(16)11-6-8-4-2-3-5-10(8)19-11/h6,9,15H,2-5,7H2,1H3,(H,14,16)