S-[2-[(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl] ester Formula: C14H11BrN2O2S2 MolecularWeight: 383.28334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)Br)CC#C

Isomeric SMILES

CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)Br)CC#C

InChI

InChI=1S/C14H11BrN2O2S2/c1-3-6-17-11-5-4-10(15)7-12(11)21-14(17)16-13(19)8-20-9(2)18/h1,4-5,7H,6,8H2,2H3