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

Systemtic Name: 2-[(3,4-dimethylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(3,4-dimethylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(3,4-dimethylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C18H19NO3S MolecularWeight: 329.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-10-7-8-12(9-11(10)2)16(20)19-17-15(18(21)22)13-5-3-4-6-14(13)23-17/h7-9H,3-6H2,1-2H3,(H,19,20)(H,21,22)