(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C16H13ClN4O3S MolecularWeight: 376.81742

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN4O3S/c1-2-5-18-16-20-12(8-25-16)15(23)24-7-13-19-11-6-9(17)3-4-10(11)14(22)21-13/h2-4,6,8H,1,5,7H2,(H,18,20)(H,19,21,22)