4-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonyl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-4-oxobutanoate IUPAC Name: 4-[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(3,6-dichlorobenzothiophene-2-carbonyl)piperazino]-4-keto-butyrate Formula: C17H15Cl2N2O4S- MolecularWeight: 414.283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)[O-])C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)[O-])C(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H16Cl2N2O4S/c18-10-1-2-11-12(9-10)26-16(15(11)19)17(25)21-7-5-20(6-8-21)13(22)3-4-14(23)24/h1-2,9H,3-8H2,(H,23,24)/p-1