[5-(ethoxycarbamothioylamino)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [5-(ethoxycarbamothioylamino)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [3,4-dibenzoyloxy-5-(ethoxycarbamothioylamino)tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [3,4-dibenzoyloxy-5-[[(ethoxyamino)-sulfanylidenemethyl]amino]-2-oxolanyl]methyl ester IUPAC Name: [3,4-dibenzoyloxy-5-(ethoxycarbamothioylamino)oxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [3,4-dibenzoyloxy-5-(ethoxythiocarbamoylamino)tetrahydrofuran-2-yl]methyl ester Formula: C29H28N2O8S MolecularWeight: 564.60622

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Descriptors Computed from Structure

Canonical SMILES:

CCONC(=S)NC1C(C(C(O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCONC(=S)NC1C(C(C(O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H28N2O8S/c1-2-36-31-29(40)30-25-24(39-28(34)21-16-10-5-11-17-21)23(38-27(33)20-14-8-4-9-15-20)22(37-25)18-35-26(32)19-12-6-3-7-13-19/h3-17,22-25H,2,18H2,1H3,(H2,30,31,40)