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

Systemtic Name: 3-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]pyrazinoic acid Formula: C15H14N4O4S MolecularWeight: 346.36106

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O4S/c16-12(20)9-7-3-1-2-4-8(7)24-14(9)19-13(21)10-11(15(22)23)18-6-5-17-10/h5-6H,1-4H2,(H2,16,20)(H,19,21)(H,22,23)