[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylsulfanylpropanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O3S2/c1-12(16(21)19-17-13(11-18)7-9-24-17)22-15(20)8-10-23-14-5-3-2-4-6-14/h2-7,9,12H,8,10H2,1H3,(H,19,21)