7-oxidanylidene-1-[2-oxidanylidene-2-[(2-oxidanyl-5-oxidanylidene-oxolan-3-yl)amino]ethyl]-3-[(phenylmethylsulfanyl)methyl]-5,6-dihydro-2H-azepine-6-carboxamide

Systemtic Name: 7-oxidanylidene-1-[2-oxidanylidene-2-[(2-oxidanyl-5-oxidanylidene-oxolan-3-yl)amino]ethyl]-3-[(phenylmethylsulfanyl)methyl]-5,6-dihydro-2H-azepine-6-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-1-[2-[(2-hydroxy-5-oxo-tetrahydrofuran-3-yl)amino]-2-oxo-ethyl]-7-oxo-5,6-dihydro-2H-azepine-6-carboxamide CAS Name: 1-[2-[(2-hydroxy-5-oxo-3-oxolanyl)amino]-2-oxoethyl]-7-oxo-3-[(phenylmethylthio)methyl]-5,6-dihydro-2H-azepine-6-carboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-1-[2-[(2-hydroxy-5-oxooxolan-3-yl)amino]-2-oxoethyl]-7-oxo-5,6-dihydro-2H-azepine-6-carboxamide Traditional Name: 3-[(benzylthio)methyl]-1-[2-[(2-hydroxy-5-keto-tetrahydrofuran-3-yl)amino]-2-keto-ethyl]-7-keto-5,6-dihydro-2H-azepine-6-carboxamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CN(C(=O)C1C(=O)N)CC(=O)NC2CC(=O)OC2O)CSCC3=CC=CC=C3

Isomeric SMILES

C1C=C(CN(C(=O)C1C(=O)N)CC(=O)NC2CC(=O)OC2O)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O6S/c22-19(27)15-7-6-14(12-31-11-13-4-2-1-3-5-13)9-24(20(15)28)10-17(25)23-16-8-18(26)30-21(16)29/h1-6,15-16,21,29H,7-12H2,(H2,22,27)(H,23,25)