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

Systemtic Name: (E)-4-[[(2S)-butan-2-yl]-(thiophen-2-ylmethyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[(1S)-1-methylpropyl]-(2-thienylmethyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[(2S)-butan-2-yl]-(thiophen-2-ylmethyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[(2S)-butan-2-yl]-(thiophen-2-ylmethyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[[(1S)-1-methylpropyl]-(2-thenyl)amino]but-2-enoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N(CC1=CC=CS1)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H17NO3S/c1-3-10(2)14(9-11-5-4-8-18-11)12(15)6-7-13(16)17/h4-8,10H,3,9H2,1-2H3,(H,16,17)/b7-6+/t10-/m0/s1