ethyl 2-[2-[[5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl-(phenylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[[5-[(2,6-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl-(phenylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[benzyl-[2-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]-(phenylmethyl)amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[benzyl-[2-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[benzyl-[2-[[5-(2,6-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C26H27N5O3S3 MolecularWeight: 553.71928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)CSC3=NN=C(S3)NC4=C(C=CC=C4C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=CC=C2)C(=O)CSC3=NN=C(S3)NC4=C(C=CC=C4C)C)C

InChI

InChI=1S/C26H27N5O3S3/c1-5-34-23(33)22-18(4)27-25(36-22)31(14-19-12-7-6-8-13-19)20(32)15-35-26-30-29-24(37-26)28-21-16(2)10-9-11-17(21)3/h6-13H,5,14-15H2,1-4H3,(H,28,29)