2-(phenylcarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid

Systemtic Name: 2-(phenylcarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Openeye Name: 2-(phenylcarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid CAS Name: 2-[[anilino(oxo)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid IUPAC Name: 2-(phenylcarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Traditional Name: 2-(phenylcarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)O)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)O)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H18N2O3S/c20-16(21)14-12-9-5-2-6-10-13(12)23-15(14)19-17(22)18-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,20,21)(H2,18,19,22)