S-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[[4-(4-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[4-(4-nitrophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: S-[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[[4-(4-nitrophenyl)thiazol-2-yl]amino]ethyl] ester Formula: C13H11N3O4S2 MolecularWeight: 337.37414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SCC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O4S2/c1-8(17)21-7-12(18)15-13-14-11(6-22-13)9-2-4-10(5-3-9)16(19)20/h2-6H,7H2,1H3,(H,14,15,18)