[2-[[4-(3,4-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[[4-(3,4-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[4-[(3,4-dimethylphenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[4-[(3,4-dimethylphenyl)thio]anilino]-2-keto-ethyl] ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)COC(=O)C3=NC=CN=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)COC(=O)C3=NC=CN=C3)C

InChI

InChI=1S/C21H19N3O3S/c1-14-3-6-18(11-15(14)2)28-17-7-4-16(5-8-17)24-20(25)13-27-21(26)19-12-22-9-10-23-19/h3-12H,13H2,1-2H3,(H,24,25)