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

Systemtic Name: methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-amino-2-oxo-ethyl)sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-amino-2-oxoethyl)sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N)CCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4S/c1-27-19(26)14-7-8-15-16(11-14)22-20(28-12-17(21)24)23(18(15)25)10-9-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H2,21,24)