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

Systemtic Name: methyl 2-[2-[2-[[6-bromanyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[2-[[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxo-ethyl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[2-[[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]thio]-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-ethoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[2-[[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]amino]-2-keto-ethyl]thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C24H26BrN3O5S3 MolecularWeight: 612.57934

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC

InChI

InChI=1S/C24H26BrN3O5S3/c1-3-33-10-9-28-16-8-7-14(25)11-18(16)36-24(28)27-20(30)13-34-12-19(29)26-22-21(23(31)32-2)15-5-4-6-17(15)35-22/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,26,29)