4-chloranyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 4-chloro-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)benzoic acid CAS Name: 4-chloro-3-[[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 4-chloro-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)benzoic acid Traditional Name: 4-chloro-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)benzoic acid Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C17H16ClNO3S/c18-12-7-6-11(17(21)22)8-13(12)19-16(20)15-9-10-4-2-1-3-5-14(10)23-15/h6-9H,1-5H2,(H,19,20)(H,21,22)