methyl 4-[[N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidoyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidoyl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidoyl]sulfanylmethyl]benzoate CAS Name: 4-[[[amino(2,3-dihydro-1,4-benzodioxin-6-ylimino)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidoyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[N'-(2,3-dihydro-1,4-benzodioxin-6-yl)amidino]thio]methyl]benzoic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC(=NC2=CC3=C(C=C2)OCCO3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC(=NC2=CC3=C(C=C2)OCCO3)N

InChI

InChI=1S/C18H18N2O4S/c1-22-17(21)13-4-2-12(3-5-13)11-25-18(19)20-14-6-7-15-16(10-14)24-9-8-23-15/h2-7,10H,8-9,11H2,1H3,(H2,19,20)