4-[[(2S)-butan-2-yl]-(thiophen-2-ylmethyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(2S)-butan-2-yl]-(thiophen-2-ylmethyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(1S)-1-methylpropyl]-(2-thienylmethyl)amino]-4-oxo-butanoate CAS Name: 4-[[(2S)-butan-2-yl]-(thiophen-2-ylmethyl)amino]-4-oxobutanoate IUPAC Name: 4-[[(2S)-butan-2-yl]-(thiophen-2-ylmethyl)amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[(1S)-1-methylpropyl]-(2-thenyl)amino]butyrate Formula: C13H18NO3S- MolecularWeight: 268.35192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CS1)C(=O)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3S/c1-3-10(2)14(9-11-5-4-8-18-11)12(15)6-7-13(16)17/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,17)/p-1/t10-/m0/s1