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

Systemtic Name: methyl 3-[[3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[3-(2,3-dimethylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[3-(2,3-dimethylphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC(CC(=O)OC)C4=CC=CS4)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC(CC(=O)OC)C4=CC=CS4)NC2=S)C

InChI

InChI=1S/C25H23N3O4S2/c1-14-6-4-7-20(15(14)2)28-24(31)17-10-9-16(12-18(17)27-25(28)33)23(30)26-19(13-22(29)32-3)21-8-5-11-34-21/h4-12,19H,13H2,1-3H3,(H,26,30)(H,27,33)