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

Systemtic Name: S-[1-[4-[2-(4-nitrophenyl)ethanoyl]-1,3-thiazol-2-yl]piperidin-4-yl] ethanethioate Openeye Name: S-[1-[4-[2-(4-nitrophenyl)acetyl]thiazol-2-yl]-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[1-[4-[2-(4-nitrophenyl)-1-oxoethyl]-2-thiazolyl]-4-piperidinyl] ester IUPAC Name: S-[1-[4-[2-(4-nitrophenyl)acetyl]-1,3-thiazol-2-yl]piperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[4-[2-(4-nitrophenyl)acetyl]thiazol-2-yl]-4-piperidyl] ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(CC1)C2=NC(=CS2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CCN(CC1)C2=NC(=CS2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S2/c1-12(22)27-15-6-8-20(9-7-15)18-19-16(11-26-18)17(23)10-13-2-4-14(5-3-13)21(24)25/h2-5,11,15H,6-10H2,1H3