(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C18H16ClN3O2S2 MolecularWeight: 405.92154

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CSC(=N3)NCC=C)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CSC(=N3)NCC=C)Cl

InChI

InChI=1S/C18H16ClN3O2S2/c1-3-6-20-18-22-15(10-26-18)17(23)24-9-12-7-11-4-5-13(25-2)8-14(11)21-16(12)19/h3-5,7-8,10H,1,6,9H2,2H3,(H,20,22)