S-[3-(acetamidomethyl)-2-(phenylmethyl)-1,4-benzodioxin-6-yl] furan-2-carbothioate

Systemtic Name: S-[3-(acetamidomethyl)-2-(phenylmethyl)-1,4-benzodioxin-6-yl] furan-2-carbothioate Openeye Name: S-[3-(acetamidomethyl)-2-benzyl-1,4-benzodioxin-6-yl] furan-2-carbothioate CAS Name: 2-furancarbothioic acid S-[3-(acetamidomethyl)-2-(phenylmethyl)-1,4-benzodioxin-6-yl] ester IUPAC Name: S-[3-(acetamidomethyl)-2-benzyl-1,4-benzodioxin-6-yl] furan-2-carbothioate Traditional Name: furan-2-carbothioic acid S-[3-(acetamidomethyl)-2-benzyl-1,4-benzodioxin-6-yl] ester Formula: C23H19NO5S MolecularWeight: 421.46566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(OC2=C(O1)C=C(C=C2)SC(=O)C3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NCC1=C(OC2=C(O1)C=C(C=C2)SC(=O)C3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C23H19NO5S/c1-15(25)24-14-22-20(12-16-6-3-2-4-7-16)28-18-10-9-17(13-21(18)29-22)30-23(26)19-8-5-11-27-19/h2-11,13H,12,14H2,1H3,(H,24,25)