4-oxidanylidene-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]butanoic acid Openeye Name: 4-[benzyl(2-thienylmethyl)amino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]butanoic acid IUPAC Name: 4-[benzyl(thiophen-2-ylmethyl)amino]-4-oxobutanoic acid Traditional Name: 4-[benzyl(2-thenyl)amino]-4-keto-butyric acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CS2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CS2)C(=O)CCC(=O)O

InChI

InChI=1S/C16H17NO3S/c18-15(8-9-16(19)20)17(12-14-7-4-10-21-14)11-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H,19,20)