3-[(5-chloranyl-1-benzothiophen-3-yl)methylcarbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(5-chloranyl-1-benzothiophen-3-yl)methylcarbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[(5-chlorobenzothiophen-3-yl)methylcarbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[(5-chloro-1-benzothiophen-3-yl)methylamino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(5-chloro-1-benzothiophen-3-yl)methylcarbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[(5-chlorobenzothiophen-3-yl)methylcarbamoyl]pyrazinoic acid Formula: C15H10ClN3O3S MolecularWeight: 347.7762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=CS2)CNC(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=CS2)CNC(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C15H10ClN3O3S/c16-9-1-2-11-10(5-9)8(7-23-11)6-19-14(20)12-13(15(21)22)18-4-3-17-12/h1-5,7H,6H2,(H,19,20)(H,21,22)