3-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]pyrazine-2-carboxylic acid Openeye Name: 3-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]pyrazine-2-carboxylic acid CAS Name: 3-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]pyrazine-2-carboxylic acid Traditional Name: 3-[4-(2-thenoyl)-1,4-diazepane-1-carbonyl]pyrazinoic acid Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NC=CN=C2C(=O)O)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NC=CN=C2C(=O)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C16H16N4O4S/c21-14(11-3-1-10-25-11)19-6-2-7-20(9-8-19)15(22)12-13(16(23)24)18-5-4-17-12/h1,3-5,10H,2,6-9H2,(H,23,24)