3-[(5-tert-butyl-2-methoxycarbonyl-thiophen-3-yl)carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[(5-tert-butyl-2-methoxycarbonyl-thiophen-3-yl)carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[(5-tert-butyl-2-methoxycarbonyl-3-thienyl)carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[(5-tert-butyl-2-methoxycarbonyl-3-thiophenyl)amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[(5-tert-butyl-2-methoxycarbonylthiophen-3-yl)carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[(5-tert-butyl-2-carbomethoxy-3-thienyl)carbamoyl]pyrazinoic acid Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(S1)C(=O)OC)NC(=O)C2=NC=CN=C2C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(S1)C(=O)OC)NC(=O)C2=NC=CN=C2C(=O)O

InChI

InChI=1S/C16H17N3O5S/c1-16(2,3)9-7-8(12(25-9)15(23)24-4)19-13(20)10-11(14(21)22)18-6-5-17-10/h5-7H,1-4H3,(H,19,20)(H,21,22)