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

Systemtic Name: 2-[(3,4-dichlorophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(3,4-dichlorobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[(3,4-dichlorophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(3,4-dichlorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[(3,4-dichlorobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C16H13Cl2NO3S MolecularWeight: 370.25032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)O

InChI

InChI=1S/C16H13Cl2NO3S/c17-10-6-5-8(7-11(10)18)14(20)19-15-13(16(21)22)9-3-1-2-4-12(9)23-15/h5-7H,1-4H2,(H,19,20)(H,21,22)