tert-butyl (Z)-2-[[(4-aminophenyl)methylamino]-thiophen-3-yl-methyl]but-2-enoate

Systemtic Name: tert-butyl (Z)-2-[[(4-aminophenyl)methylamino]-thiophen-3-yl-methyl]but-2-enoate Openeye Name: tert-butyl (Z)-2-[[(4-aminophenyl)methylamino]-(3-thienyl)methyl]but-2-enoate CAS Name: (Z)-2-[[(4-aminophenyl)methylamino]-(3-thiophenyl)methyl]-2-butenoic acid tert-butyl ester IUPAC Name: tert-butyl (Z)-2-[[(4-aminophenyl)methylamino]-thiophen-3-ylmethyl]but-2-enoate Traditional Name: (Z)-2-[[(4-aminobenzyl)amino]-(3-thienyl)methyl]but-2-enoic acid tert-butyl ester Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C(C1=CSC=C1)NCC2=CC=C(C=C2)N)C(=O)OC(C)(C)C

Isomeric SMILES

C/C=C(/C(C1=CSC=C1)NCC2=CC=C(C=C2)N)\C(=O)OC(C)(C)C

InChI

InChI=1S/C20H26N2O2S/c1-5-17(19(23)24-20(2,3)4)18(15-10-11-25-13-15)22-12-14-6-8-16(21)9-7-14/h5-11,13,18,22H,12,21H2,1-4H3/b17-5-