methyl 2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-methoxy-2-oxo-ethyl)sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[(2-methoxy-2-oxoethyl)thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-methoxy-2-oxoethyl)sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-keto-2-methoxy-ethyl)thio]-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-27-18(24)13-29-21-22-17-12-15(20(26)28-2)8-9-16(17)19(25)23(21)11-10-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3