dimethyl 5-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H18N4O5S MolecularWeight: 390.41362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NNC(=N2)C3CC3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NNC(=N2)C3CC3)C(=O)OC

InChI

InChI=1S/C17H18N4O5S/c1-25-15(23)10-5-11(16(24)26-2)7-12(6-10)18-13(22)8-27-17-19-14(20-21-17)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,18,22)(H,19,20,21)