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

Systemtic Name: methyl 3-[(3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)amino]-3-(2-thienyl)propanoate CAS Name: 3-[[(3-methyl-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carbonyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CS3)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CS3)NC1=S

InChI

InChI=1S/C18H17N3O4S2/c1-21-17(24)11-6-5-10(8-12(11)20-18(21)26)16(23)19-13(9-15(22)25-2)14-4-3-7-27-14/h3-8,13H,9H2,1-2H3,(H,19,23)(H,20,26)