S-(2-acetamidoethyl) 2-(3-hydroxyphenyl)-4,6-bis(oxidanyl)benzenecarbothioate

Systemtic Name: S-(2-acetamidoethyl) 2-(3-hydroxyphenyl)-4,6-bis(oxidanyl)benzenecarbothioate Openeye Name: S-(2-acetamidoethyl) 2,4-dihydroxy-6-(3-hydroxyphenyl)benzenecarbothioate CAS Name: 2,4-dihydroxy-6-(3-hydroxyphenyl)benzenecarbothioic acid S-(2-acetamidoethyl) ester IUPAC Name: S-(2-acetamidoethyl) 2,4-dihydroxy-6-(3-hydroxyphenyl)benzenecarbothioate Traditional Name: 2,4-dihydroxy-6-(3-hydroxyphenyl)thiobenzoic acid S-(2-acetamidoethyl) ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC(=O)C1=C(C=C(C=C1C2=CC(=CC=C2)O)O)O

Isomeric SMILES

CC(=O)NCCSC(=O)C1=C(C=C(C=C1C2=CC(=CC=C2)O)O)O

InChI

InChI=1S/C17H17NO5S/c1-10(19)18-5-6-24-17(23)16-14(8-13(21)9-15(16)22)11-3-2-4-12(20)7-11/h2-4,7-9,20-22H,5-6H2,1H3,(H,18,19)