[2-[(4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[(4-cyclopropyl-3-ethoxycarbonyl-2-thienyl)amino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[(4-cyclopropyl-3-ethoxycarbonyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-cyclopropyl-3-ethoxycarbonylthiophen-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[(3-carbethoxy-4-cyclopropyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)C3=CN=C(C=N3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)COC(=O)C3=CN=C(C=N3)C

InChI

InChI=1S/C18H19N3O5S/c1-3-25-18(24)15-12(11-4-5-11)9-27-16(15)21-14(22)8-26-17(23)13-7-19-10(2)6-20-13/h6-7,9,11H,3-5,8H2,1-2H3,(H,21,22)