ethyl 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-ethoxycarbonyl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-ethoxycarbonyl-pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-ethoxycarbonyl-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-[(1,3-benzothiazol-2-ylthio)methyl]-5-ethoxycarbonyl-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-ethoxycarbonylpyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-[(1,3-benzothiazol-2-ylthio)methyl]-5-carbethoxy-pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H21N5O4S3 MolecularWeight: 515.62824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1CSC2=NC3=CC=CC=C3S2)NC4=NC(=C(S4)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1CSC2=NC3=CC=CC=C3S2)NC4=NC(=C(S4)C(=O)OCC)C

InChI

InChI=1S/C22H21N5O4S3/c1-4-30-18(28)13-10-23-20(27-21-24-12(3)17(34-21)19(29)31-5-2)25-15(13)11-32-22-26-14-8-6-7-9-16(14)33-22/h6-10H,4-5,11H2,1-3H3,(H,23,24,25,27)