methyl 4-oxidanylidene-2-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[2-oxo-2-(2-thienylmethylamino)ethyl]sulfanyl-3-phenyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thio]-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-3-phenylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(2-thenylamino)ethyl]thio]-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C23H19N3O4S2 MolecularWeight: 465.54466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O4S2/c1-30-22(29)15-9-10-18-19(12-15)25-23(26(21(18)28)16-6-3-2-4-7-16)32-14-20(27)24-13-17-8-5-11-31-17/h2-12H,13-14H2,1H3,(H,24,27)