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

Systemtic Name: ethyl 4-[2-[3-azanyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-amino-5-(2-methoxy-2-oxo-ethyl)sulfanyl-1,2,4-triazol-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-amino-5-[(2-methoxy-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-methoxy-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-amino-5-[(2-keto-2-methoxy-ethyl)thio]-1,2,4-triazol-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C16H19N5O5S MolecularWeight: 393.41756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC(=O)OC)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=NN=C2SCC(=O)OC)N

InChI

InChI=1S/C16H19N5O5S/c1-3-26-14(24)10-4-6-11(7-5-10)18-12(22)8-21-15(17)19-20-16(21)27-9-13(23)25-2/h4-7H,3,8-9H2,1-2H3,(H2,17,19)(H,18,22)