methyl 2-[9-[[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]amino]-9-oxidanylidene-nonyl]sulfanyl-1,3-benzoxazole-7-carboxylate

Systemtic Name: methyl 2-[9-[[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]amino]-9-oxidanylidene-nonyl]sulfanyl-1,3-benzoxazole-7-carboxylate Openeye Name: methyl 2-[9-[[6-methyl-2,4-bis(methylsulfanyl)-3-pyridyl]amino]-9-oxo-nonyl]sulfanyl-1,3-benzoxazole-7-carboxylate CAS Name: 2-[[9-[[6-methyl-2,4-bis(methylthio)-3-pyridinyl]amino]-9-oxononyl]thio]-1,3-benzoxazole-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[9-[[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]amino]-9-oxononyl]sulfanyl-1,3-benzoxazole-7-carboxylate Traditional Name: 2-[[9-keto-9-[[6-methyl-2,4-bis(methylthio)-3-pyridyl]amino]nonyl]thio]-1,3-benzoxazole-7-carboxylic acid methyl ester Formula: C26H33N3O4S3 MolecularWeight: 547.75292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)SC)NC(=O)CCCCCCCCSC2=NC3=CC=CC(=C3O2)C(=O)OC)SC

Isomeric SMILES

CC1=NC(=C(C(=C1)SC)NC(=O)CCCCCCCCSC2=NC3=CC=CC(=C3O2)C(=O)OC)SC

InChI

InChI=1S/C26H33N3O4S3/c1-17-16-20(34-3)22(24(27-17)35-4)29-21(30)14-9-7-5-6-8-10-15-36-26-28-19-13-11-12-18(23(19)33-26)25(31)32-2/h11-13,16H,5-10,14-15H2,1-4H3,(H,29,30)