5-[aminocarbonyl-[1-(1-benzothiophen-2-yl)ethyl]amino]peroxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[aminocarbonyl-[1-(1-benzothiophen-2-yl)ethyl]amino]peroxy-5-oxidanylidene-pentanoic acid Openeye Name: 5-[1-(benzothiophen-2-yl)ethyl-carbamoyl-amino]peroxy-5-oxo-pentanoic acid CAS Name: 5-[1-(1-benzothiophen-2-yl)ethyl-carbamoylamino]dioxy-5-oxopentanoic acid IUPAC Name: 5-[1-(1-benzothiophen-2-yl)ethyl-carbamoylamino]peroxy-5-oxopentanoic acid Traditional Name: 5-[1-(benzothiophen-2-yl)ethyl-carbamoyl-amino]peroxy-5-keto-valeric acid Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)OOC(=O)CCCC(=O)O

Isomeric SMILES

CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)OOC(=O)CCCC(=O)O

InChI

InChI=1S/C16H18N2O6S/c1-10(13-9-11-5-2-3-6-12(11)25-13)18(16(17)22)24-23-15(21)8-4-7-14(19)20/h2-3,5-6,9-10H,4,7-8H2,1H3,(H2,17,22)(H,19,20)