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

Systemtic Name: 4-[[2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]amino]butanoic acid Openeye Name: 4-[[2-[allyl(2-thienylmethyl)amino]-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]amino]butanoic acid IUPAC Name: 4-[[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]amino]butanoic acid Traditional Name: 4-[[2-[allyl(2-thenyl)amino]-2-keto-ethyl]amino]butyric acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-2-8-16(11-12-5-4-9-20-12)13(17)10-15-7-3-6-14(18)19/h2,4-5,9,15H,1,3,6-8,10-11H2,(H,18,19)