prop-2-ynyl 2-[(NZ)-N-[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]carbamimidoyl]sulfanylethanoate

Systemtic Name: prop-2-ynyl 2-[(NZ)-N-[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]carbamimidoyl]sulfanylethanoate Openeye Name: prop-2-ynyl 2-[(NZ)-N-[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]carbamimidoyl]sulfanylacetate CAS Name: 2-[[imino-[(Z)-[3-(2-mercaptoethyl)-1,3-benzothiazol-2-ylidene]amino]methyl]thio]acetic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 2-[(NZ)-N-[3-(2-sulfanylethyl)-1,3-benzothiazol-2-ylidene]carbamimidoyl]sulfanylacetate Traditional Name: 2-[[(NZ)-N-[3-(2-mercaptoethyl)-1,3-benzothiazol-2-ylidene]amidino]thio]acetic acid propargyl ester Formula: C15H15N3O2S3 MolecularWeight: 365.4935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)CSC(=N)N=C1N(C2=CC=CC=C2S1)CCS

Isomeric SMILES

C#CCOC(=O)CSC(=N)/N=C\1/N(C2=CC=CC=C2S1)CCS

InChI

InChI=1S/C15H15N3O2S3/c1-2-8-20-13(19)10-22-14(16)17-15-18(7-9-21)11-5-3-4-6-12(11)23-15/h1,3-6,16,21H,7-10H2/b16-14?,17-15-