methyl 4-oxidanylidene-2-sulfanylidene-3-[(3,4,5-trimethoxyphenyl)carbonylamino]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-sulfanylidene-3-[(3,4,5-trimethoxyphenyl)carbonylamino]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-thioxo-3-[(3,4,5-trimethoxybenzoyl)amino]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-sulfanylidene-3-[(3,4,5-trimethoxybenzoyl)amino]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-thioxo-3-[(3,4,5-trimethoxybenzoyl)amino]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H19N3O7S MolecularWeight: 445.44576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S

InChI

InChI=1S/C20H19N3O7S/c1-27-14-8-11(9-15(28-2)16(14)29-3)17(24)22-23-18(25)12-6-5-10(19(26)30-4)7-13(12)21-20(23)31/h5-9H,1-4H3,(H,21,31)(H,22,24)