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

Systemtic Name: ethyl 4-[2-[2-[(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-oxo-ethyl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-[(3-methyl-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-methyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-keto-2-[(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]ethyl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H23N5O6S2 MolecularWeight: 481.54582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H23N5O6S2/c1-3-30-19(27)23-8-6-22(7-9-23)17(26)12-31-11-16(25)20-18-21(2)14-5-4-13(24(28)29)10-15(14)32-18/h4-5,10H,3,6-9,11-12H2,1-2H3