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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C)NC1=S

InChI

InChI=1S/C20H19N3O4S/c1-4-23-18(25)14-8-7-12(9-16(14)22-20(23)28)17(24)21-15-10-13(19(26)27-3)6-5-11(15)2/h5-10H,4H2,1-3H3,(H,21,24)(H,22,28)