ethyl 3-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzofuran-2-carboxylate CAS Name: 3-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]coumarilic acid ethyl ester Formula: C15H15N5O4S MolecularWeight: 361.3757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CSC3=NNC(=N3)N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C15H15N5O4S/c1-2-23-13(22)12-11(8-5-3-4-6-9(8)24-12)17-10(21)7-25-15-18-14(16)19-20-15/h3-6H,2,7H2,1H3,(H,17,21)(H3,16,18,19,20)