ethyl 4-[2-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazino]acetyl]amino]benzoic acid ethyl ester Formula: C24H23Cl2N3O4S MolecularWeight: 520.42812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H23Cl2N3O4S/c1-2-33-24(32)15-3-6-17(7-4-15)27-20(30)14-28-9-11-29(12-10-28)23(31)22-21(26)18-8-5-16(25)13-19(18)34-22/h3-8,13H,2,9-12,14H2,1H3,(H,27,30)