ethyl 2-(prop-2-enylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-(prop-2-enylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-(allylamino)-4-(2-pyridylsulfanylmethyl)thiazole-5-carboxylate CAS Name: 2-(prop-2-enylamino)-4-[(2-pyridinylthio)methyl]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(prop-2-enylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate Traditional Name: 2-(allylamino)-4-[(2-pyridylthio)methyl]thiazole-5-carboxylic acid ethyl ester Formula: C15H17N3O2S2 MolecularWeight: 335.44438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NCC=C)CSC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NCC=C)CSC2=CC=CC=N2

InChI

InChI=1S/C15H17N3O2S2/c1-3-8-17-15-18-11(13(22-15)14(19)20-4-2)10-21-12-7-5-6-9-16-12/h3,5-7,9H,1,4,8,10H2,2H3,(H,17,18)