methyl 2-(2,3-dihydro-1-benzothiophen-2-ylcarbonylamino)-3-oxidanyl-propanoate

Systemtic Name: methyl 2-(2,3-dihydro-1-benzothiophen-2-ylcarbonylamino)-3-oxidanyl-propanoate Openeye Name: methyl 2-(2,3-dihydrobenzothiophene-2-carbonylamino)-3-hydroxy-propanoate CAS Name: 2-[[2,3-dihydro-1-benzothiophen-2-yl(oxo)methyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-hydroxypropanoate Traditional Name: 2-(2,3-dihydrobenzothiophene-2-carbonylamino)-3-hydroxy-propionic acid methyl ester Formula: C13H15NO4S MolecularWeight: 281.3275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1CC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1CC2=CC=CC=C2S1

InChI

InChI=1S/C13H15NO4S/c1-18-13(17)9(7-15)14-12(16)11-6-8-4-2-3-5-10(8)19-11/h2-5,9,11,15H,6-7H2,1H3,(H,14,16)