(E)-4-oxidanylidene-4-[prop-2-enyl(thiophen-2-ylmethyl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[prop-2-enyl(thiophen-2-ylmethyl)amino]but-2-enoic acid Openeye Name: (E)-4-[allyl(2-thienylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-[prop-2-enyl(thiophen-2-ylmethyl)amino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[prop-2-enyl(thiophen-2-ylmethyl)amino]but-2-enoic acid Traditional Name: (E)-4-[allyl(2-thenyl)amino]-4-keto-but-2-enoic acid Formula: C12H13NO3S MolecularWeight: 251.30152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3S/c1-2-7-13(9-10-4-3-8-17-10)11(14)5-6-12(15)16/h2-6,8H,1,7,9H2,(H,15,16)/b6-5+