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

Systemtic Name: [2-[(3-ethoxycarbonyl-5-propan-2-yl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-5-isopropyl-2-thienyl)amino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[(3-ethoxycarbonyl-5-propan-2-yl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[(3-carbethoxy-5-isopropyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)COC(=O)C2=CN=C(C=N2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)COC(=O)C2=CN=C(C=N2)C

InChI

InChI=1S/C18H21N3O5S/c1-5-25-17(23)12-6-14(10(2)3)27-16(12)21-15(22)9-26-18(24)13-8-19-11(4)7-20-13/h6-8,10H,5,9H2,1-4H3,(H,21,22)