ethyl 3-[4-azanyl-2-(phenylmethylsulfanyl)-1,3-thiazol-5-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[4-azanyl-2-(phenylmethylsulfanyl)-1,3-thiazol-5-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-(4-amino-2-benzylsulfanyl-thiazol-5-yl)-3-oxo-propanoate CAS Name: 3-[4-amino-2-(phenylmethylthio)-5-thiazolyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(4-amino-2-benzylsulfanyl-1,3-thiazol-5-yl)-3-oxopropanoate Traditional Name: 3-[4-amino-2-(benzylthio)thiazol-5-yl]-3-keto-propionic acid ethyl ester Formula: C15H16N2O3S2 MolecularWeight: 336.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=C(N=C(S1)SCC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)CC(=O)C1=C(N=C(S1)SCC2=CC=CC=C2)N

InChI

InChI=1S/C15H16N2O3S2/c1-2-20-12(19)8-11(18)13-14(16)17-15(22-13)21-9-10-6-4-3-5-7-10/h3-7H,2,8-9,16H2,1H3