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

Systemtic Name: ethyl 2-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O4S/c1-2-24-13(21)9-11-16(22)19-7-8-20(11)17(23)15-14(18)10-5-3-4-6-12(10)25-15/h3-6,11H,2,7-9H2,1H3,(H,19,22)