methyl 4-[2-[(3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[(3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[(3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)amino]ethyl]benzoate CAS Name: 4-[2-[[(3-methyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]ethyl]benzoate Traditional Name: 4-[2-[(4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carbonyl)amino]ethyl]benzoic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)C(=O)OC)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)C(=O)OC)NC1=S

InChI

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