N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(3S)-1,1-diketothiolan-3-yl]amine Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3CCS(=O)(=O)C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)N[C@H]3CCS(=O)(=O)C3)OC1

InChI

InChI=1S/C13H17NO4S/c15-19(16)7-4-11(9-19)14-10-2-3-12-13(8-10)18-6-1-5-17-12/h2-3,8,11,14H,1,4-7,9H2/t11-/m0/s1