ethyl 2-[[(2S)-2-(2-hydroxyethylsulfanyl)propanoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-(2-hydroxyethylsulfanyl)propanoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-(2-hydroxyethylsulfanyl)propanoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-(2-hydroxyethylthio)-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-(2-hydroxyethylsulfanyl)propanoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-(2-hydroxyethylthio)propanoyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(C)SCCO

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)[C@H](C)SCCO

InChI

InChI=1S/C18H21NO4S2/c1-3-23-18(22)14-11-15(13-7-5-4-6-8-13)25-17(14)19-16(21)12(2)24-10-9-20/h4-8,11-12,20H,3,9-10H2,1-2H3,(H,19,21)/t12-/m0/s1