methyl 2-[2-[2-[(6-bromanyl-3-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-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: C22H22BrN3O4S3 MolecularWeight: 568.52678

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC

InChI

InChI=1S/C22H22BrN3O4S3/c1-3-26-14-8-7-12(23)9-16(14)33-22(26)25-18(28)11-31-10-17(27)24-20-19(21(29)30-2)13-5-4-6-15(13)32-20/h7-9H,3-6,10-11H2,1-2H3,(H,24,27)