methyl 2-[2-[2-[[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[2-[[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfonylethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[2-[[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxo-ethyl]sulfonylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[2-[[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonyl-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[2-[[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfonylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[2-[[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-keto-ethyl]sulfonylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C25H28BrN3O7S3 MolecularWeight: 658.60472

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OC

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OC

InChI

InChI=1S/C25H28BrN3O7S3/c1-35-11-10-29-17-9-8-15(26)12-19(17)38-25(29)28-21(31)14-39(33,34)13-20(30)27-23-22(24(32)36-2)16-6-4-3-5-7-18(16)37-23/h8-9,12H,3-7,10-11,13-14H2,1-2H3,(H,27,30)