[2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(3-acetamido-4-hydroxy-phenyl)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-(3-acetamido-4-hydroxy-phenyl)-2-keto-ethyl] ester Formula: C19H19NO5S MolecularWeight: 373.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CSC3=C2CCCC3)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CSC3=C2CCCC3)O

InChI

InChI=1S/C19H19NO5S/c1-11(21)20-15-8-12(6-7-16(15)22)17(23)9-25-19(24)14-10-26-18-5-3-2-4-13(14)18/h6-8,10,22H,2-5,9H2,1H3,(H,20,21)