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

Systemtic Name: 2-[(3-methoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(3-methoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[(3-methoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(3-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(m-anisoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C17H17NO4S MolecularWeight: 331.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4S/c1-22-11-6-4-5-10(9-11)15(19)18-16-14(17(20)21)12-7-2-3-8-13(12)23-16/h4-6,9H,2-3,7-8H2,1H3,(H,18,19)(H,20,21)