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

Systemtic Name: butyl 2-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O4S/c1-2-3-10-26-15(23)11-13-18(24)21-8-9-22(13)19(25)17-16(20)12-6-4-5-7-14(12)27-17/h4-7,13H,2-3,8-11H2,1H3,(H,21,24)