S-[2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: S-[2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C15H14N2O2S2 MolecularWeight: 318.41386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=NC2=C(S1)CCC3=CC=CC=C32

Isomeric SMILES

CC(=O)SCC(=O)NC1=NC2=C(S1)CCC3=CC=CC=C32

InChI

InChI=1S/C15H14N2O2S2/c1-9(18)20-8-13(19)16-15-17-14-11-5-3-2-4-10(11)6-7-12(14)21-15/h2-5H,6-8H2,1H3,(H,16,17,19)