methyl 4-oxidanylidene-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H12N4O4S2 MolecularWeight: 400.43158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=C(O3)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=NN=C(O3)C4=CC=CS4

InChI

InChI=1S/C17H12N4O4S2/c1-24-16(23)9-4-5-10-11(7-9)18-13(19-14(10)22)8-27-17-21-20-15(25-17)12-3-2-6-26-12/h2-7H,8H2,1H3,(H,18,19,22)