ethyl 4-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H23ClN4O4S MolecularWeight: 450.93902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C20H23ClN4O4S/c1-3-7-25-18(27)15-6-5-14(21)12-16(15)22-19(25)30-13-17(26)23-8-10-24(11-9-23)20(28)29-4-2/h3,5-6,12H,1,4,7-11,13H2,2H3