ethyl 5-chloranyl-2-[2-(3-oxidanylpropylamino)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-chloranyl-2-[2-(3-oxidanylpropylamino)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-chloro-2-[[2-(3-hydroxypropylamino)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-chloro-2-[[2-(3-hydroxypropylamino)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-2-[[2-(3-hydroxypropylamino)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-chloro-2-[[2-(3-hydroxypropylamino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O4S/c1-2-25-18(24)15-14(12-7-4-3-5-8-12)16(19)26-17(15)21-13(23)11-20-9-6-10-22/h3-5,7-8,20,22H,2,6,9-11H2,1H3,(H,21,23)