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

Systemtic Name: ethyl 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[3-amino-5-(methylthio)-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-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]propanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C16H18N6O3S2 MolecularWeight: 406.48252

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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=C3SC)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)N3C(=NN=C3SC)N

InChI

InChI=1S/C16H18N6O3S2/c1-4-25-13(24)9-5-6-10-11(7-9)27-15(18-10)19-12(23)8(2)22-14(17)20-21-16(22)26-3/h5-8H,4H2,1-3H3,(H2,17,20)(H,18,19,23)