ethyl 4-[2-[2-[(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfonylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-[(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfonylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfonylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-[(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-[(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl]sulfonylacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H28N4O7S2 MolecularWeight: 536.62102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCN(CC3)C(=O)OCC)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)CS(=O)(=O)CC(=O)N3CCN(CC3)C(=O)OCC)S2)CC#C

InChI

InChI=1S/C23H28N4O7S2/c1-4-9-27-18-8-7-17(33-5-2)14-19(18)35-22(27)24-20(28)15-36(31,32)16-21(29)25-10-12-26(13-11-25)23(30)34-6-3/h1,7-8,14H,5-6,9-13,15-16H2,2-3H3