[2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-keto-ethyl] ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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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=C3N

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)COC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C21H20N4O3S/c1-13-3-4-14(2)17(11-13)29-16-7-5-15(6-8-16)25-18(26)12-28-21(27)19-20(22)24-10-9-23-19/h3-11H,12H2,1-2H3,(H2,22,24)(H,25,26)