[4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C21H17BrClNO4S MolecularWeight: 494.78598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCCCC(=O)C3=CC=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)OCCCC(=O)C3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C21H17BrClNO4S/c22-14-9-7-13(8-10-14)16(25)5-3-11-28-18(26)12-24-21(27)20-19(23)15-4-1-2-6-17(15)29-20/h1-2,4,6-10H,3,5,11-12H2,(H,24,27)