[2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-keto-ethyl] ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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