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

Systemtic Name: 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylate Openeye Name: 3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylate CAS Name: 3-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-2-pyrazinecarboxylate IUPAC Name: 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazine-2-carboxylate Traditional Name: 3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]pyrazinate Formula: C15H11N4O3S- MolecularWeight: 327.33784

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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)/p-1