2-[2-(4-methoxyphenyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[2-(4-methoxyphenyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[[2-(4-methoxyphenyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[[2-(4-methoxyphenyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[[2-(4-methoxyphenyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C18H19NO4S MolecularWeight: 345.41276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O

InChI

InChI=1S/C18H19NO4S/c1-23-12-8-6-11(7-9-12)10-15(20)19-17-16(18(21)22)13-4-2-3-5-14(13)24-17/h6-9H,2-5,10H2,1H3,(H,19,20)(H,21,22)