ethyl 4-[2-[2-[(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-[(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-[(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-[(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28N4O5S2 MolecularWeight: 480.60082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCN(CC3)C(=O)OCC)S2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CSCC(=O)N3CCN(CC3)C(=O)OCC)S2)C

InChI

InChI=1S/C21H28N4O5S2/c1-4-29-15-6-7-16-17(12-15)32-20(23(16)3)22-18(26)13-31-14-19(27)24-8-10-25(11-9-24)21(28)30-5-2/h6-7,12H,4-5,8-11,13-14H2,1-3H3