ethyl 2,4-dimethyl-5-[[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)amino]methylidene]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)amino]methylidene]pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[(4-oxo-2-thioxo-1H-quinazolin-3-yl)amino]methylene]pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)amino]methylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)amino]methylidene]pyrrole-3-carboxylate Traditional Name: 5-[[(4-keto-2-thioxo-1H-quinazolin-3-yl)amino]methylene]-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CNN2C(=O)C3=CC=CC=C3NC2=S)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CNN2C(=O)C3=CC=CC=C3NC2=S)N=C1C)C

InChI

InChI=1S/C18H18N4O3S/c1-4-25-17(24)15-10(2)14(20-11(15)3)9-19-22-16(23)12-7-5-6-8-13(12)21-18(22)26/h5-9,19H,4H2,1-3H3,(H,21,26)