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

Systemtic Name: ethyl 2-[2-[3-azanyl-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[3-amino-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-1,2,4-triazol-4-yl]acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[3-amino-5-[(2-ethoxy-2-oxoethyl)thio]-1,2,4-triazol-4-yl]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-amino-5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[3-amino-5-[(2-ethoxy-2-keto-ethyl)thio]-1,2,4-triazol-4-yl]acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H23N5O5S2 MolecularWeight: 489.56782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC)N

InChI

InChI=1S/C21H23N5O5S2/c1-3-30-17(28)12-32-21-25-24-20(22)26(21)11-16(27)23-18-14(19(29)31-4-2)10-15(33-18)13-8-6-5-7-9-13/h5-10H,3-4,11-12H2,1-2H3,(H2,22,24)(H,23,27)