[2-oxidanylidene-2-[phenethyl(thiophen-2-ylmethyl)amino]ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenethyl(thiophen-2-ylmethyl)amino]ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-oxo-2-[phenethyl(2-thienylmethyl)amino]ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-oxo-2-[phenethyl(thiophen-2-ylmethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[phenethyl(thiophen-2-ylmethyl)amino]ethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-keto-2-[phenethyl(2-thenyl)amino]ethyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C21H21N3O3S/c1-16-12-23-19(13-22-16)21(26)27-15-20(25)24(14-18-8-5-11-28-18)10-9-17-6-3-2-4-7-17/h2-8,11-13H,9-10,14-15H2,1H3