ethyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]-1,3-benzothiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]-1,3-benzothiazole-5-carboxylate Openeye Name: ethyl 2-[[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-1,3-benzothiazole-5-carboxylate CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxoethyl]amino]-1,3-benzothiazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-1,3-benzothiazole-5-carboxylate Traditional Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]acetyl]amino]-1,3-benzothiazole-5-carboxylic acid ethyl ester Formula: C22H22N6O3S2 MolecularWeight: 482.57848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)SC(=N2)NC(=O)CN3C(=NN=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SC(=N2)NC(=O)CN3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C22H22N6O3S2/c1-2-31-19(30)15-8-9-17-16(12-15)24-21(33-17)25-18(29)13-28-20(23)26-27-22(28)32-11-10-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H2,23,26)(H,24,25,29)