(E)-4-oxidanylidene-4-[propan-2-yl(thiophen-2-ylmethyl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[propan-2-yl(thiophen-2-ylmethyl)amino]but-2-enoic acid Openeye Name: (E)-4-[isopropyl(2-thienylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-[propan-2-yl(thiophen-2-ylmethyl)amino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[propan-2-yl(thiophen-2-ylmethyl)amino]but-2-enoic acid Traditional Name: (E)-4-[isopropyl(2-thenyl)amino]-4-keto-but-2-enoic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-9(2)13(8-10-4-3-7-17-10)11(14)5-6-12(15)16/h3-7,9H,8H2,1-2H3,(H,15,16)/b6-5+