methyl 2-[3-oxidanylidene-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyl)piperazin-2-yl]ethanoate Openeye Name: methyl 2-[3-oxo-1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazin-2-yl]acetic acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C16H20N2O4S/c1-22-14(19)9-11-15(20)17-6-7-18(11)16(21)13-8-10-4-2-3-5-12(10)23-13/h8,11H,2-7,9H2,1H3,(H,17,20)