(2S)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Systemtic Name: (2S)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: (2S)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: (2S)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: (2S)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: (2S)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC4=C(C=C(C=C4)Cl)C(=O)N3CC=C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC4=C(C=C(C=C4)Cl)C(=O)N3CC=C

InChI

InChI=1S/C22H20ClN3O4S/c1-3-8-26-21(28)16-11-14(23)4-6-17(16)25-22(26)31-13(2)20(27)24-15-5-7-18-19(12-15)30-10-9-29-18/h3-7,11-13H,1,8-10H2,2H3,(H,24,27)/t13-/m0/s1