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

Systemtic Name: ethyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-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-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]propanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H24N6O3S2 MolecularWeight: 496.60506

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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=C3SCCC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)N3C(=NN=C3SCCC4=CC=CC=C4)N

InChI

InChI=1S/C23H24N6O3S2/c1-3-32-20(31)16-9-10-17-18(13-16)34-22(25-17)26-19(30)14(2)29-21(24)27-28-23(29)33-12-11-15-7-5-4-6-8-15/h4-10,13-14H,3,11-12H2,1-2H3,(H2,24,27)(H,25,26,30)