methyl 4-oxidanylidene-3-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-[2-oxo-2-(1-phenylethylamino)ethyl]-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(1-phenylethylamino)ethyl]-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

InChI

InChI=1S/C20H19N3O4S/c1-12(13-6-4-3-5-7-13)21-17(24)11-23-18(25)15-9-8-14(19(26)27-2)10-16(15)22-20(23)28/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,28)