phenacyl 2-(1-azanyl-2-sulfanyl-ethyl)-1,3-thiazole-4-carboxylate

Systemtic Name: phenacyl 2-(1-azanyl-2-sulfanyl-ethyl)-1,3-thiazole-4-carboxylate Openeye Name: phenacyl 2-(1-amino-2-sulfanyl-ethyl)thiazole-4-carboxylate CAS Name: 2-(1-amino-2-mercaptoethyl)-4-thiazolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(1-amino-2-sulfanylethyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(1-amino-2-mercapto-ethyl)thiazole-4-carboxylic acid phenacyl ester Formula: C14H14N2O3S2 MolecularWeight: 322.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CSC(=N2)C(CS)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CSC(=N2)C(CS)N

InChI

InChI=1S/C14H14N2O3S2/c15-10(7-20)13-16-11(8-21-13)14(18)19-6-12(17)9-4-2-1-3-5-9/h1-5,8,10,20H,6-7,15H2