3-[[5-(4-chlorophenyl)-2-methoxycarbonyl-thiophen-3-yl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[5-(4-chlorophenyl)-2-methoxycarbonyl-thiophen-3-yl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[5-(4-chlorophenyl)-2-methoxycarbonyl-3-thienyl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[[5-(4-chlorophenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[5-(4-chlorophenyl)-2-methoxycarbonylthiophen-3-yl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[2-carbomethoxy-5-(4-chlorophenyl)-3-thienyl]carbamoyl]pyrazinoic acid Formula: C18H12ClN3O5S MolecularWeight: 417.82298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C18H12ClN3O5S/c1-27-18(26)15-11(8-12(28-15)9-2-4-10(19)5-3-9)22-16(23)13-14(17(24)25)21-7-6-20-13/h2-8H,1H3,(H,22,23)(H,24,25)