[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl] ester Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=NC=CN=C4N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=NC=CN=C4N

InChI

InChI=1S/C21H17N5O3S/c1-12-2-7-15-16(10-12)30-20(26-15)13-3-5-14(6-4-13)25-17(27)11-29-21(28)18-19(22)24-9-8-23-18/h2-10H,11H2,1H3,(H2,22,24)(H,25,27)