ethyl 2-[2-(3-oxidanylpropylamino)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-oxidanylpropylamino)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-hydroxypropylamino)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-hydroxypropylamino)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-hydroxypropylamino)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-hydroxypropylamino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CNCCCO

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CNCCCO

InChI

InChI=1S/C18H22N2O4S/c1-2-24-18(23)16-14(13-7-4-3-5-8-13)12-25-17(16)20-15(22)11-19-9-6-10-21/h3-5,7-8,12,19,21H,2,6,9-11H2,1H3,(H,20,22)