S-[(2R)-2-acetamido-3-[(4-hydroxyphenyl)amino]-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[(2R)-2-acetamido-3-[(4-hydroxyphenyl)amino]-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[(2R)-2-acetamido-3-(4-hydroxyanilino)-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[(2R)-2-acetamido-3-(4-hydroxyanilino)-3-oxopropyl] ester IUPAC Name: S-[(2R)-2-acetamido-3-(4-hydroxyanilino)-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[(2R)-2-acetamido-3-(4-hydroxyanilino)-3-keto-propyl] ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)C)C(=O)NC1=CC=C(C=C1)O

Isomeric SMILES

CC(=O)N[C@@H](CSC(=O)C)C(=O)NC1=CC=C(C=C1)O

InChI

InChI=1S/C13H16N2O4S/c1-8(16)14-12(7-20-9(2)17)13(19)15-10-3-5-11(18)6-4-10/h3-6,12,18H,7H2,1-2H3,(H,14,16)(H,15,19)/t12-/m0/s1