ethyl 4-[2-[3-azanyl-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-azanyl-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-amino-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-1,2,4-triazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-amino-5-[(2-ethoxy-2-oxoethyl)thio]-1,2,4-triazol-4-yl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-amino-5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-amino-5-[(2-ethoxy-2-keto-ethyl)thio]-1,2,4-triazol-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC(=O)NC2=CC=C(C=C2)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC(=O)NC2=CC=C(C=C2)C(=O)OCC)N

InChI

InChI=1S/C17H21N5O5S/c1-3-26-14(24)10-28-17-21-20-16(18)22(17)9-13(23)19-12-7-5-11(6-8-12)15(25)27-4-2/h5-8H,3-4,9-10H2,1-2H3,(H2,18,20)(H,19,23)