decyl 2-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: decyl 2-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 2-[1-(3-chlorobenzothiophene-2-carbonyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-(3-chloro-1-benzothiophene-2-carbonyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-chlorobenzothiophene-2-carbonyl)-3-keto-piperazin-2-yl]acetic acid decyl ester Formula: C25H33ClN2O4S MolecularWeight: 493.05852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C25H33ClN2O4S/c1-2-3-4-5-6-7-8-11-16-32-21(29)17-19-24(30)27-14-15-28(19)25(31)23-22(26)18-12-9-10-13-20(18)33-23/h9-10,12-13,19H,2-8,11,14-17H2,1H3,(H,27,30)