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

Systemtic Name: ethyl 2-[2-[2-[[3-(2-ethoxy-2-oxidanylidene-ethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[2-[[3-(2-ethoxy-2-oxo-ethyl)-6-nitro-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-[[3-(2-ethoxy-2-oxoethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-[[3-(2-ethoxy-2-oxoethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[2-[[3-(2-ethoxy-2-keto-ethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-keto-ethyl]thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C25H26N4O8S3 MolecularWeight: 606.69094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OCC

InChI

InChI=1S/C25H26N4O8S3/c1-3-36-21(32)11-28-16-9-8-14(29(34)35)10-18(16)40-25(28)27-20(31)13-38-12-19(30)26-23-22(24(33)37-4-2)15-6-5-7-17(15)39-23/h8-10H,3-7,11-13H2,1-2H3,(H,26,30)