methyl 5-(carbamimidoylsulfanylmethyl)-2-(3-methylbutoxy)benzoate

Systemtic Name: methyl 5-(carbamimidoylsulfanylmethyl)-2-(3-methylbutoxy)benzoate Openeye Name: methyl 5-(carbamimidoylsulfanylmethyl)-2-isopentyloxy-benzoate CAS Name: 5-[(carbamimidoylthio)methyl]-2-(3-methylbutoxy)benzoic acid methyl ester IUPAC Name: methyl 5-(carbamimidoylsulfanylmethyl)-2-(3-methylbutoxy)benzoate Traditional Name: 5-[(amidinothio)methyl]-2-isoamoxy-benzoic acid methyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)CSC(=N)N)C(=O)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)CSC(=N)N)C(=O)OC

InChI

InChI=1S/C15H22N2O3S/c1-10(2)6-7-20-13-5-4-11(9-21-15(16)17)8-12(13)14(18)19-3/h4-5,8,10H,6-7,9H2,1-3H3,(H3,16,17)