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

Systemtic Name: ethyl 4-[2-[2-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfonylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfonylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-keto-2-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)amino]ethyl]sulfonylacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H26N4O7S2 MolecularWeight: 498.57304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CS(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CS(=O)(=O)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)C

InChI

InChI=1S/C20H26N4O7S2/c1-4-31-20(27)24-9-7-23(8-10-24)18(26)13-33(28,29)12-17(25)21-19-22(2)15-6-5-14(30-3)11-16(15)32-19/h5-6,11H,4,7-10,12-13H2,1-3H3