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

Systemtic Name: S-[2-[(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[6-(methylthio)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl] ester IUPAC Name: S-[2-[(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[[6-(methylthio)-3-propargyl-1,3-benzothiazol-2-ylidene]amino]ethyl] ester Formula: C15H14N2O2S3 MolecularWeight: 350.47886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O2S3/c1-4-7-17-12-6-5-11(20-3)8-13(12)22-15(17)16-14(19)9-21-10(2)18/h1,5-6,8H,7,9H2,2-3H3