[2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-keto-2-[2-[(1S)-1-methylpropyl]anilino]ethyl] ester Formula: C21H20ClNO3S MolecularWeight: 401.9064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C21H20ClNO3S/c1-3-13(2)14-8-4-6-10-16(14)23-18(24)12-26-21(25)20-19(22)15-9-5-7-11-17(15)27-20/h4-11,13H,3,12H2,1-2H3,(H,23,24)/t13-/m0/s1