methyl 2-[2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoylimino]-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]sulfanylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-[[2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]thio]-1-oxoethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]sulfanylacetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-[[2-(4-carbethoxypiperazino)-2-keto-ethyl]thio]acetyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H26N4O6S2 MolecularWeight: 494.58434

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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)C(=O)OC)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H26N4O6S2/c1-4-31-21(29)25-9-7-24(8-10-25)18(27)13-32-12-17(26)22-20-23(2)15-6-5-14(19(28)30-3)11-16(15)33-20/h5-6,11H,4,7-10,12-13H2,1-3H3