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

Systemtic Name: (E)-4-[2-methylpropyl(thiophen-2-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[isobutyl(2-thienylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[2-methylpropyl(thiophen-2-ylmethyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[2-methylpropyl(thiophen-2-ylmethyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[isobutyl(2-thenyl)amino]-4-keto-but-2-enoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-10(2)8-14(9-11-4-3-7-18-11)12(15)5-6-13(16)17/h3-7,10H,8-9H2,1-2H3,(H,16,17)/b6-5+