tert-butyl 2-carbamimidoyl-3-[2-[(2-methylsulfanylphenyl)carbonylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate

Systemtic Name: tert-butyl 2-carbamimidoyl-3-[2-[(2-methylsulfanylphenyl)carbonylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: tert-butyl 2-carbamimidoyl-3-[2-[(2-methylsulfanylbenzoyl)amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 2-carbamimidoyl-3-[2-[[[2-(methylthio)phenyl]-oxomethyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbamimidoyl-3-[2-[(2-methylsulfanylbenzoyl)amino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 2-amidino-3-[2-[[2-(methylthio)benzoyl]amino]ethyl]coumaran-5-carboxylic acid tert-butyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(C=C1)OC(C2CCNC(=O)C3=CC=CC=C3SC)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(C=C1)OC(C2CCNC(=O)C3=CC=CC=C3SC)C(=N)N

InChI

InChI=1S/C24H29N3O4S/c1-24(2,3)31-23(29)14-9-10-18-17(13-14)15(20(30-18)21(25)26)11-12-27-22(28)16-7-5-6-8-19(16)32-4/h5-10,13,15,20H,11-12H2,1-4H3,(H3,25,26)(H,27,28)