ethyl 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]butanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C17H20N6O3S2 MolecularWeight: 420.5091

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)N3C(=NN=C3SC)N

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)N3C(=NN=C3SC)N

InChI

InChI=1S/C17H20N6O3S2/c1-4-11(23-15(18)21-22-17(23)27-3)13(24)20-16-19-10-7-6-9(8-12(10)28-16)14(25)26-5-2/h6-8,11H,4-5H2,1-3H3,(H2,18,21)(H,19,20,24)