3-azanyl-5-(4-isothiocyanatophenyl)carbonyl-oxolan-2-one

Systemtic Name: 3-azanyl-5-(4-isothiocyanatophenyl)carbonyl-oxolan-2-one Openeye Name: 3-amino-5-(4-isothiocyanatobenzoyl)tetrahydrofuran-2-one CAS Name: 3-amino-5-[(4-isothiocyanatophenyl)-oxomethyl]-2-oxolanone IUPAC Name: 3-amino-5-(4-isothiocyanatobenzoyl)oxolan-2-one Traditional Name: 3-amino-5-(4-isothiocyanatobenzoyl)tetrahydrofuran-2-one Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)OC1C(=O)C2=CC=C(C=C2)N=C=S)N

Isomeric SMILES

C1C(C(=O)OC1C(=O)C2=CC=C(C=C2)N=C=S)N

InChI

InChI=1S/C12H10N2O3S/c13-9-5-10(17-12(9)16)11(15)7-1-3-8(4-2-7)14-6-18/h1-4,9-10H,5,13H2