ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(1,3-benzothiazol-2-ylsulfanylmethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(1,3-benzothiazol-2-ylsulfanylmethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(1,3-benzothiazol-2-ylsulfanylmethyl)pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylamino)-4-[(1,3-benzothiazol-2-ylthio)methyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-(1,3-benzothiazol-2-ylsulfanylmethyl)pyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4-[(1,3-benzothiazol-2-ylthio)methyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H17N5O2S3 MolecularWeight: 479.59768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1CSC2=NC3=CC=CC=C3S2)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1CSC2=NC3=CC=CC=C3S2)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H17N5O2S3/c1-2-29-19(28)13-11-23-20(27-21-25-14-7-3-5-9-17(14)31-21)24-16(13)12-30-22-26-15-8-4-6-10-18(15)32-22/h3-11H,2,12H2,1H3,(H,23,24,25,27)