methyl 2-[[(1S)-2,2,2-tris(chloranyl)-1-(3-methylbutanoylamino)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[(1S)-2,2,2-tris(chloranyl)-1-(3-methylbutanoylamino)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(1S)-2,2,2-trichloro-1-(3-methylbutanoylamino)ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(1S)-2,2,2-trichloro-1-[(3-methyl-1-oxobutyl)amino]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(1S)-2,2,2-trichloro-1-(3-methylbutanoylamino)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(1S)-2,2,2-trichloro-1-(isovalerylamino)ethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H23Cl3N2O3S MolecularWeight: 441.80012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC1=C(C2=C(S1)CCCC2)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)N[C@H](C(Cl)(Cl)Cl)NC1=C(C2=C(S1)CCCC2)C(=O)OC

InChI

InChI=1S/C17H23Cl3N2O3S/c1-9(2)8-12(23)21-16(17(18,19)20)22-14-13(15(24)25-3)10-6-4-5-7-11(10)26-14/h9,16,22H,4-8H2,1-3H3,(H,21,23)/t16-/m0/s1