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

Systemtic Name: 2-[[2-hydroxyethyl-(phenylmethyl)carbamoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[[benzyl(2-hydroxyethyl)carbamoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[[2-hydroxyethyl-(phenylmethyl)amino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[[benzyl(2-hydroxyethyl)carbamoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[[benzyl(2-hydroxyethyl)carbamoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C19H22N2O4S MolecularWeight: 374.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)N(CCO)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)N(CCO)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H22N2O4S/c22-11-10-21(12-13-6-2-1-3-7-13)19(25)20-17-16(18(23)24)14-8-4-5-9-15(14)26-17/h1-3,6-7,22H,4-5,8-12H2,(H,20,25)(H,23,24)