S-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C13H14N2O2S2 MolecularWeight: 294.39246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=C(C2=C(S1)CCCC2)C#N

Isomeric SMILES

CC(=O)SCC(=O)NC1=C(C2=C(S1)CCCC2)C#N

InChI

InChI=1S/C13H14N2O2S2/c1-8(16)18-7-12(17)15-13-10(6-14)9-4-2-3-5-11(9)19-13/h2-5,7H2,1H3,(H,15,17)