1-(6-chloranyl-1-benzothiophen-3-yl)-2-oxidanylidene-cyclohepta[b]pyrrole-3-carboxylic acid

Systemtic Name: 1-(6-chloranyl-1-benzothiophen-3-yl)-2-oxidanylidene-cyclohepta[b]pyrrole-3-carboxylic acid Openeye Name: 1-(6-chlorobenzothiophen-3-yl)-2-oxo-cyclohepta[b]pyrrole-3-carboxylic acid CAS Name: 1-(6-chloro-1-benzothiophen-3-yl)-2-oxo-3-cyclohepta[b]pyrrolecarboxylic acid IUPAC Name: 1-(6-chloro-1-benzothiophen-3-yl)-2-oxocyclohepta[b]pyrrole-3-carboxylic acid Traditional Name: 1-(6-chlorobenzothiophen-3-yl)-2-keto-cyclohepta[b]pyrrole-3-carboxylic acid Formula: C18H10ClNO3S MolecularWeight: 355.7949

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C(C(=O)N2C3=CSC4=C3C=CC(=C4)Cl)C(=O)O)C=C1

Isomeric SMILES

C1=CC=C2C(=C(C(=O)N2C3=CSC4=C3C=CC(=C4)Cl)C(=O)O)C=C1

InChI

InChI=1S/C18H10ClNO3S/c19-10-6-7-11-14(9-24-15(11)8-10)20-13-5-3-1-2-4-12(13)16(17(20)21)18(22)23/h1-9H,(H,22,23)