[3-azanyl-4-[(3-methoxy-4-methoxycarbonyl-phenyl)methylamino]phenoxy]sulfanylboron

Systemtic Name: [3-azanyl-4-[(3-methoxy-4-methoxycarbonyl-phenyl)methylamino]phenoxy]sulfanylboron Openeye Name: [3-amino-4-[(3-methoxy-4-methoxycarbonyl-phenyl)methylamino]phenoxy]sulfanylboron CAS Name: [[3-amino-4-[(3-methoxy-4-methoxycarbonylphenyl)methylamino]phenoxy]thio]boron IUPAC Name: [3-amino-4-[(3-methoxy-4-methoxycarbonylphenyl)methylamino]phenoxy]sulfanylboron Traditional Name: [[3-amino-4-[(4-carbomethoxy-3-methoxy-benzyl)amino]phenoxy]thio]boron Formula: C16H17BN2O4S MolecularWeight: 344.19318

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Descriptors Computed from Structure

Canonical SMILES:

[B]SOC1=CC(=C(C=C1)NCC2=CC(=C(C=C2)C(=O)OC)OC)N

Isomeric SMILES

[B]SOC1=CC(=C(C=C1)NCC2=CC(=C(C=C2)C(=O)OC)OC)N

InChI

InChI=1S/C16H17BN2O4S/c1-21-15-7-10(3-5-12(15)16(20)22-2)9-19-14-6-4-11(23-24-17)8-13(14)18/h3-8,19H,9,18H2,1-2H3