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

Systemtic Name: ethyl 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]-1,3-benzothiazole-5-carboxylate Openeye Name: ethyl 2-[[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-1,3-benzothiazole-5-carboxylate CAS Name: 2-[[2-[3-amino-5-(methylthio)-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-methylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-1,3-benzothiazole-5-carboxylate Traditional Name: 2-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]acetyl]amino]-1,3-benzothiazole-5-carboxylic acid ethyl ester Formula: C15H16N6O3S2 MolecularWeight: 392.45594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)SC(=N2)NC(=O)CN3C(=NN=C3SC)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SC(=N2)NC(=O)CN3C(=NN=C3SC)N

InChI

InChI=1S/C15H16N6O3S2/c1-3-24-12(23)8-4-5-10-9(6-8)17-14(26-10)18-11(22)7-21-13(16)19-20-15(21)25-2/h4-6H,3,7H2,1-2H3,(H2,16,19)(H,17,18,22)