methyl 4-[[butan-2-ylsulfanyl-[ethyl(phenyliminomethyl)amino]phosphoryl]amino]butanoate

Systemtic Name: methyl 4-[[butan-2-ylsulfanyl-[ethyl(phenyliminomethyl)amino]phosphoryl]amino]butanoate Openeye Name: methyl 4-[[[ethyl(phenyliminomethyl)amino]-sec-butylsulfanyl-phosphoryl]amino]butanoate CAS Name: 4-[[(butan-2-ylthio)-[ethyl(phenyliminomethyl)amino]phosphoryl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[butan-2-ylsulfanyl-[ethyl(phenyliminomethyl)amino]phosphoryl]amino]butanoate Traditional Name: 4-[[[ethyl(phenyliminomethyl)amino]-(sec-butylthio)phosphoryl]amino]butyric acid methyl ester Formula: C18H30N3O3PS MolecularWeight: 399.487861

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SP(=O)(NCCCC(=O)OC)N(CC)C=NC1=CC=CC=C1

Isomeric SMILES

CCC(C)SP(=O)(NCCCC(=O)OC)N(CC)C=NC1=CC=CC=C1

InChI

InChI=1S/C18H30N3O3PS/c1-5-16(3)26-25(23,20-14-10-13-18(22)24-4)21(6-2)15-19-17-11-8-7-9-12-17/h7-9,11-12,15-16H,5-6,10,13-14H2,1-4H3,(H,20,23)