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

Systemtic Name: ethyl 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)ethanoylamino]-1,3-benzothiazole-5-carboxylate Openeye Name: ethyl 2-[[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-1,3-benzothiazole-5-carboxylate CAS Name: 2-[[2-[3-amino-5-(ethylthio)-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-ethylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-1,3-benzothiazole-5-carboxylate Traditional Name: 2-[[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]acetyl]amino]-1,3-benzothiazole-5-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)SC(=N2)NC(=O)CN3C(=NN=C3SCC)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SC(=N2)NC(=O)CN3C(=NN=C3SCC)N

InChI

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