ethyl 4-[(6-ethoxy-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(6-ethoxy-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(6-ethoxy-2-thioxo-1,3-benzothiazol-3-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(6-ethoxy-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-ethoxy-2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(6-ethoxy-2-thioxo-1,3-benzothiazol-3-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=S)S2)CN3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=S)S2)CN3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C17H23N3O3S2/c1-3-22-13-5-6-14-15(11-13)25-17(24)20(14)12-18-7-9-19(10-8-18)16(21)23-4-2/h5-6,11H,3-4,7-10,12H2,1-2H3