methyl 4-oxidanylidene-4-[2-(4-thiophen-3-ylphenyl)propylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[2-(4-thiophen-3-ylphenyl)propylamino]butanoate Openeye Name: methyl 4-oxo-4-[2-[4-(3-thienyl)phenyl]propylamino]butanoate CAS Name: 4-oxo-4-[2-[4-(3-thiophenyl)phenyl]propylamino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[2-(4-thiophen-3-ylphenyl)propylamino]butanoate Traditional Name: 4-keto-4-[2-[4-(3-thienyl)phenyl]propylamino]butyric acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CCC(=O)OC)C1=CC=C(C=C1)C2=CSC=C2

Isomeric SMILES

CC(CNC(=O)CCC(=O)OC)C1=CC=C(C=C1)C2=CSC=C2

InChI

InChI=1S/C18H21NO3S/c1-13(11-19-17(20)7-8-18(21)22-2)14-3-5-15(6-4-14)16-9-10-23-12-16/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,19,20)