[2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[(5-methyl-2-thiophenyl)methyl-phenethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methylthiophen-2-yl)methyl-phenethylamino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]ethyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)COC(=O)C3=NC=CN=C3

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)COC(=O)C3=NC=CN=C3

InChI

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