methyl 2-[2-[2-[[6-bromanyl-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[2-[[6-bromanyl-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[2-[[6-bromo-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxo-ethyl]sulfonylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[2-[[6-bromo-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[2-[[6-bromo-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[2-[[6-bromo-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazol-2-ylidene]amino]-2-keto-ethyl]sulfonylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C23H22BrN3O8S3 MolecularWeight: 644.53508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC

InChI

InChI=1S/C23H22BrN3O8S3/c1-34-19(30)9-27-14-7-6-12(24)8-16(14)37-23(27)26-18(29)11-38(32,33)10-17(28)25-21-20(22(31)35-2)13-4-3-5-15(13)36-21/h6-8H,3-5,9-11H2,1-2H3,(H,25,28)