ethyl 4-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C)C

InChI

InChI=1S/C22H22ClN3O4S/c1-5-9-26-20(28)15-8-7-14(23)10-16(15)25-22(26)31-11-17(27)18-12(3)19(24-13(18)4)21(29)30-6-2/h5,7-8,10,24H,1,6,9,11H2,2-4H3