S-[(1S)-2-azanyl-1-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[(1S)-2-azanyl-1-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[(1S)-2-amino-1-(1,3-benzothiazol-2-yl)-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[(1S)-2-amino-1-(1,3-benzothiazol-2-yl)-2-oxoethyl] ester IUPAC Name: S-[(1S)-2-amino-1-(1,3-benzothiazol-2-yl)-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[(1S)-2-amino-1-(1,3-benzothiazol-2-yl)-2-keto-ethyl] ester Formula: C11H10N2O2S2 MolecularWeight: 266.3393

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C1=NC2=CC=CC=C2S1)C(=O)N

Isomeric SMILES

CC(=O)S[C@H](C1=NC2=CC=CC=C2S1)C(=O)N

InChI

InChI=1S/C11H10N2O2S2/c1-6(14)16-9(10(12)15)11-13-7-4-2-3-5-8(7)17-11/h2-5,9H,1H3,(H2,12,15)/t9-/m0/s1