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

Systemtic Name: methyl 4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-3-phenyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-3-phenylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(propargylamino)ethyl]thio]-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCC#C)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NCC#C)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O4S/c1-3-11-22-18(25)13-29-21-23-17-12-14(20(27)28-2)9-10-16(17)19(26)24(21)15-7-5-4-6-8-15/h1,4-10,12H,11,13H2,2H3,(H,22,25)