[2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate

Systemtic Name: [2-[[4-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate Openeye Name: [2-[4-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic acid [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid [2-keto-2-[4-[(1S)-1-methylpropyl]anilino]ethyl] ester Formula: C17H18ClNO3S MolecularWeight: 351.84772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C17H18ClNO3S/c1-3-11(2)12-4-6-13(7-5-12)19-16(20)10-22-17(21)14-8-9-15(18)23-14/h4-9,11H,3,10H2,1-2H3,(H,19,20)/t11-/m0/s1