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

Systemtic Name: methyl 3-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)amino]-3-(2-thienyl)propanoate CAS Name: 3-[[(3-ethyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CS3)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CS3)NC1=S

InChI

InChI=1S/C19H19N3O4S2/c1-3-22-18(25)12-7-6-11(9-13(12)21-19(22)27)17(24)20-14(10-16(23)26-2)15-5-4-8-28-15/h4-9,14H,3,10H2,1-2H3,(H,20,24)(H,21,27)