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

Systemtic Name: ethyl 4-[2-[2-[(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-[(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]thio]-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]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-keto-2-[(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)amino]ethyl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5S2/c1-4-8-26-17-7-6-16(30-3)13-18(17)33-21(26)23-19(27)14-32-15-20(28)24-9-11-25(12-10-24)22(29)31-5-2/h1,6-7,13H,5,8-12,14-15H2,2-3H3