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

Systemtic Name: ethyl 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[3-amino-5-(ethylthio)-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-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]butanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H22N6O3S2 MolecularWeight: 434.53568

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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=C3SCC)N

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)N3C(=NN=C3SCC)N

InChI

InChI=1S/C18H22N6O3S2/c1-4-12(24-16(19)22-23-18(24)28-6-3)14(25)21-17-20-11-8-7-10(9-13(11)29-17)15(26)27-5-2/h7-9,12H,4-6H2,1-3H3,(H2,19,22)(H,20,21,25)