dimethyl 5-azanyl-3-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(5-phenyltetrazol-2-yl)methyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(5-phenyl-2-tetrazolyl)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(5-phenyltetrazol-2-yl)methyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(5-phenyltetrazol-2-yl)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H15N5O4S MolecularWeight: 373.3864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CN2N=C(N=N2)C3=CC=CC=C3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CN2N=C(N=N2)C3=CC=CC=C3)C(=O)OC)N

InChI

InChI=1S/C16H15N5O4S/c1-24-15(22)11-10(12(16(23)25-2)26-13(11)17)8-21-19-14(18-20-21)9-6-4-3-5-7-9/h3-7H,8,17H2,1-2H3