[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-thiophen-3-ylpropanoate

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-thiophen-3-ylpropanoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCC2=CSC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CCC2=CSC=C2

InChI

InChI=1S/C18H21NO3S/c1-3-14-4-7-16(8-5-14)19-18(21)13(2)22-17(20)9-6-15-10-11-23-12-15/h4-5,7-8,10-13H,3,6,9H2,1-2H3,(H,19,21)/t13-/m0/s1