S-[1-[4-[2-(4-nitrophenyl)ethanoyl]-1,3-thiazol-2-yl]azetidin-3-yl] ethanethioate

Systemtic Name: S-[1-[4-[2-(4-nitrophenyl)ethanoyl]-1,3-thiazol-2-yl]azetidin-3-yl] ethanethioate Openeye Name: S-[1-[4-[2-(4-nitrophenyl)acetyl]thiazol-2-yl]azetidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[4-[2-(4-nitrophenyl)-1-oxoethyl]-2-thiazolyl]-3-azetidinyl] ester IUPAC Name: S-[1-[4-[2-(4-nitrophenyl)acetyl]-1,3-thiazol-2-yl]azetidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[4-[2-(4-nitrophenyl)acetyl]thiazol-2-yl]azetidin-3-yl] ester Formula: C16H15N3O4S2 MolecularWeight: 377.438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CN(C1)C2=NC(=CS2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CN(C1)C2=NC(=CS2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S2/c1-10(20)25-13-7-18(8-13)16-17-14(9-24-16)15(21)6-11-2-4-12(5-3-11)19(22)23/h2-5,9,13H,6-8H2,1H3