ethyl 2-[2-[2-[(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[2-[(6-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[2-[(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfonylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[2-[(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonyl-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-[(6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfonylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[2-[(6-chloro-3-propargyl-1,3-benzothiazol-2-ylidene)amino]-2-keto-ethyl]sulfonylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H24ClN3O6S3 MolecularWeight: 594.12256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CS(=O)(=O)CC(=O)N=C3N(C4=C(S3)C=C(C=C4)Cl)CC#C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CS(=O)(=O)CC(=O)N=C3N(C4=C(S3)C=C(C=C4)Cl)CC#C

InChI

InChI=1S/C25H24ClN3O6S3/c1-3-11-29-17-10-9-15(26)12-19(17)37-25(29)28-21(31)14-38(33,34)13-20(30)27-23-22(24(32)35-4-2)16-7-5-6-8-18(16)36-23/h1,9-10,12H,4-8,11,13-14H2,2H3,(H,27,30)