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

Systemtic Name: ethyl 4-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H25ClN4O4S MolecularWeight: 464.9656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H25ClN4O4S/c1-3-9-26-19(28)16-6-5-14(22)12-17(16)24-20(26)31-13-18(27)23-15-7-10-25(11-8-15)21(29)30-4-2/h3,5-6,12,15H,1,4,7-11,13H2,2H3,(H,23,27)