S-(2-nitrooxyethyl) 4-(1-benzothiophen-2-yl)piperidine-1-carbothioate

Systemtic Name: S-(2-nitrooxyethyl) 4-(1-benzothiophen-2-yl)piperidine-1-carbothioate Openeye Name: S-(2-nitrooxyethyl) 4-(benzothiophen-2-yl)piperidine-1-carbothioate CAS Name: 4-(1-benzothiophen-2-yl)-1-piperidinecarbothioic acid S-(2-nitrooxyethyl) ester IUPAC Name: S-(2-nitrooxyethyl) 4-(1-benzothiophen-2-yl)piperidine-1-carbothioate Traditional Name: 4-(benzothiophen-2-yl)piperidine-1-carbothioic acid S-(2-nitrooxyethyl) ester Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC3=CC=CC=C3S2)C(=O)SCCO[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=CC3=CC=CC=C3S2)C(=O)SCCO[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4S2/c19-16(23-10-9-22-18(20)21)17-7-5-12(6-8-17)15-11-13-3-1-2-4-14(13)24-15/h1-4,11-12H,5-10H2