prop-2-enyl 4-methyl-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: prop-2-enyl 4-methyl-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: allyl 4-methyl-2-[3-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[3-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-5-thiazolecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-methyl-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[3-[(4-methyl-2-quinolyl)thio]propanoylamino]thiazole-5-carboxylic acid allyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=NC(=C(S3)C(=O)OCC=C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCCC(=O)NC3=NC(=C(S3)C(=O)OCC=C)C

InChI

InChI=1S/C21H21N3O3S2/c1-4-10-27-20(26)19-14(3)22-21(29-19)24-17(25)9-11-28-18-12-13(2)15-7-5-6-8-16(15)23-18/h4-8,12H,1,9-11H2,2-3H3,(H,22,24,25)