ethyl 4-[2-[2-[[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-[[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxo-ethyl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-[[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-[[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]amino]-2-keto-ethyl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H29N5O7S2 MolecularWeight: 539.62496

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C22H29N5O7S2/c1-3-33-12-11-26-17-6-5-16(27(31)32)13-18(17)36-21(26)23-19(28)14-35-15-20(29)24-7-9-25(10-8-24)22(30)34-4-2/h5-6,13H,3-4,7-12,14-15H2,1-2H3