4,6-bis(chloranyl)-3-[(E)-3-oxidanyl-3-oxidanylidene-2-thiophen-3-yl-prop-1-enyl]-1H-indole-2-carboxylic acid

Systemtic Name: 4,6-bis(chloranyl)-3-[(E)-3-oxidanyl-3-oxidanylidene-2-thiophen-3-yl-prop-1-enyl]-1H-indole-2-carboxylic acid Openeye Name: 4,6-dichloro-3-[(E)-3-hydroxy-3-oxo-2-(3-thienyl)prop-1-enyl]-1H-indole-2-carboxylic acid CAS Name: 4,6-dichloro-3-[(E)-3-hydroxy-3-oxo-2-(3-thiophenyl)prop-1-enyl]-1H-indole-2-carboxylic acid IUPAC Name: 4,6-dichloro-3-[(E)-3-hydroxy-3-oxo-2-thiophen-3-ylprop-1-enyl]-1H-indole-2-carboxylic acid Traditional Name: 4,6-dichloro-3-[(E)-3-hydroxy-3-keto-2-(3-thienyl)prop-1-enyl]-1H-indole-2-carboxylic acid Formula: C16H9Cl2NO4S MolecularWeight: 382.21796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C(=CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O)C(=O)O

Isomeric SMILES

C1=CSC=C1/C(=C\C2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O)/C(=O)O

InChI

InChI=1S/C16H9Cl2NO4S/c17-8-3-11(18)13-10(14(16(22)23)19-12(13)4-8)5-9(15(20)21)7-1-2-24-6-7/h1-6,19H,(H,20,21)(H,22,23)/b9-5+