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

Systemtic Name: ethyl 4-[2-[2-[(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfonylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfonylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-[(6-methoxy-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-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-keto-2-[(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)amino]ethyl]sulfonylacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26N4O7S2 MolecularWeight: 522.59444

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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)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O7S2/c1-4-8-26-17-7-6-16(32-3)13-18(17)34-21(26)23-19(27)14-35(30,31)15-20(28)24-9-11-25(12-10-24)22(29)33-5-2/h1,6-7,13H,5,8-12,14-15H2,2-3H3