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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O

InChI

InChI=1S/C18H19NO4S/c1-11-6-8-12(9-7-11)23-10-15(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)