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

Systemtic Name: 4-oxidanylidene-4-[prop-2-enyl(thiophen-2-ylmethyl)amino]butanoic acid Openeye Name: 4-[allyl(2-thienylmethyl)amino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[prop-2-enyl(thiophen-2-ylmethyl)amino]butanoic acid IUPAC Name: 4-oxo-4-[prop-2-enyl(thiophen-2-ylmethyl)amino]butanoic acid Traditional Name: 4-[allyl(2-thenyl)amino]-4-keto-butyric acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=CS1)C(=O)CCC(=O)O

Isomeric SMILES

C=CCN(CC1=CC=CS1)C(=O)CCC(=O)O

InChI

InChI=1S/C12H15NO3S/c1-2-7-13(9-10-4-3-8-17-10)11(14)5-6-12(15)16/h2-4,8H,1,5-7,9H2,(H,15,16)