S-[3-azanyl-2-(1,2-benzoxazol-3-ylmethyl)-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[3-azanyl-2-(1,2-benzoxazol-3-ylmethyl)-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[3-amino-2-(1,2-benzoxazol-3-ylmethyl)-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-amino-2-(1,2-benzoxazol-3-ylmethyl)-3-oxopropyl] ester IUPAC Name: S-[3-amino-2-(1,2-benzoxazol-3-ylmethyl)-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-amino-2-(indoxazen-3-ylmethyl)-3-keto-propyl] ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=NOC2=CC=CC=C21)C(=O)N

Isomeric SMILES

CC(=O)SCC(CC1=NOC2=CC=CC=C21)C(=O)N

InChI

InChI=1S/C13H14N2O3S/c1-8(16)19-7-9(13(14)17)6-11-10-4-2-3-5-12(10)18-15-11/h2-5,9H,6-7H2,1H3,(H2,14,17)