2-azanyl-2-[2,7-bis(oxidanylidene)azepan-1-yl]-3-sulfanyl-propanal

Systemtic Name: 2-azanyl-2-[2,7-bis(oxidanylidene)azepan-1-yl]-3-sulfanyl-propanal Openeye Name: 2-amino-2-(2,7-dioxoazepan-1-yl)-3-sulfanyl-propanal CAS Name: 2-amino-2-(2,7-dioxo-1-azepanyl)-3-mercaptopropanal IUPAC Name: 2-amino-2-(2,7-dioxoazepan-1-yl)-3-sulfanylpropanal Traditional Name: 2-amino-2-(2,7-diketoazepan-1-yl)-3-mercapto-propionaldehyde Formula: C9H14N2O3S MolecularWeight: 230.28406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)C(CS)(C=O)N

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)C(CS)(C=O)N

InChI

InChI=1S/C9H14N2O3S/c10-9(5-12,6-15)11-7(13)3-1-2-4-8(11)14/h5,15H,1-4,6,10H2