methyl 2-[4,6-bis(methylsulfanyl)-7-oxidanylidene-7-(pyridin-3-ylamino)heptan-2-yl]sulfanyl-1,3-benzoxazole-7-carboxylate

Systemtic Name: methyl 2-[4,6-bis(methylsulfanyl)-7-oxidanylidene-7-(pyridin-3-ylamino)heptan-2-yl]sulfanyl-1,3-benzoxazole-7-carboxylate Openeye Name: methyl 2-[1-methyl-3,5-bis(methylsulfanyl)-6-oxo-6-(3-pyridylamino)hexyl]sulfanyl-1,3-benzoxazole-7-carboxylate CAS Name: 2-[[4,6-bis(methylthio)-7-oxo-7-(3-pyridinylamino)heptan-2-yl]thio]-1,3-benzoxazole-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[4,6-bis(methylsulfanyl)-7-oxo-7-(pyridin-3-ylamino)heptan-2-yl]sulfanyl-1,3-benzoxazole-7-carboxylate Traditional Name: 2-[[6-keto-1-methyl-3,5-bis(methylthio)-6-(3-pyridylamino)hexyl]thio]-1,3-benzoxazole-7-carboxylic acid methyl ester Formula: C23H27N3O4S3 MolecularWeight: 505.67318

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC(C(=O)NC1=CN=CC=C1)SC)SC)SC2=NC3=CC=CC(=C3O2)C(=O)OC

Isomeric SMILES

CC(CC(CC(C(=O)NC1=CN=CC=C1)SC)SC)SC2=NC3=CC=CC(=C3O2)C(=O)OC

InChI

InChI=1S/C23H27N3O4S3/c1-14(33-23-26-18-9-5-8-17(20(18)30-23)22(28)29-2)11-16(31-3)12-19(32-4)21(27)25-15-7-6-10-24-13-15/h5-10,13-14,16,19H,11-12H2,1-4H3,(H,25,27)