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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)N3C(=NN=C3SCC)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)N3C(=NN=C3SCC)N

InChI

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