3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]pyrazinoic acid Formula: C15H12N4O3S MolecularWeight: 328.34578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC=CN=C3C(=O)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NC=CN=C3C(=O)O)C#N

InChI

InChI=1S/C15H12N4O3S/c16-7-9-8-3-1-2-4-10(8)23-14(9)19-13(20)11-12(15(21)22)18-6-5-17-11/h5-6H,1-4H2,(H,19,20)(H,21,22)