2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[[2-hydroxyethyl(methyl)amino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O

Isomeric SMILES

CN(CCO)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O

InChI

InChI=1S/C13H18N2O4S/c1-15(6-7-16)13(19)14-11-10(12(17)18)8-4-2-3-5-9(8)20-11/h16H,2-7H2,1H3,(H,14,19)(H,17,18)