O4-tert-butyl O1-methyl 2-[[3-[[4-(C-methylsulfanylcarbonimidoyl)phenyl]carbonylamino]phenyl]carbonylamino]butanedioate

Systemtic Name: O4-tert-butyl O1-methyl 2-[[3-[[4-(C-methylsulfanylcarbonimidoyl)phenyl]carbonylamino]phenyl]carbonylamino]butanedioate Openeye Name: O4-tert-butyl O1-methyl 2-[[3-[[4-(methylsulfanylcarbonimidoyl)benzoyl]amino]benzoyl]amino]butanedioate CAS Name: 2-[[[3-[[[4-[imino-(methylthio)methyl]phenyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]butanedioic acid O4-tert-butyl ester O1-methyl ester IUPAC Name: 4-O-tert-butyl 1-O-methyl 2-[[3-[[4-(C-methylsulfanylcarbonimidoyl)benzoyl]amino]benzoyl]amino]butanedioate Traditional Name: 2-[[3-[[4-[(methylthio)carbonimidoyl]benzoyl]amino]benzoyl]amino]succinic acid O4-tert-butyl ester O1-methyl ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C(=O)OC)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C(=N)SC

Isomeric SMILES

CC(C)(C)OC(=O)CC(C(=O)OC)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C(=N)SC

InChI

InChI=1S/C25H29N3O6S/c1-25(2,3)34-20(29)14-19(24(32)33-4)28-23(31)17-7-6-8-18(13-17)27-22(30)16-11-9-15(10-12-16)21(26)35-5/h6-13,19,26H,14H2,1-5H3,(H,27,30)(H,28,31)