1-benzothiophen-6-yl 2-carbamimidoylbenzoate; methanesulfonic acid

Systemtic Name: 1-benzothiophen-6-yl 2-carbamimidoylbenzoate; methanesulfonic acid Openeye Name: benzothiophen-6-yl 2-carbamimidoylbenzoate; methanesulfonic acid CAS Name: 2-carbamimidoylbenzoic acid 1-benzothiophen-6-yl ester; methanesulfonic acid IUPAC Name: 1-benzothiophen-6-yl 2-carbamimidoylbenzoate; methanesulfonic acid Traditional Name: 2-amidinobenzoic acid benzothiophen-6-yl ester; mesylic acid Formula: C17H16N2O5S2 MolecularWeight: 392.44934

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C(C(=C1)C(=N)N)C(=O)OC2=CC3=C(C=C2)C=CS3

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C(C(=C1)C(=N)N)C(=O)OC2=CC3=C(C=C2)C=CS3

InChI

InChI=1S/C16H12N2O2S.CH4O3S/c17-15(18)12-3-1-2-4-13(12)16(19)20-11-6-5-10-7-8-21-14(10)9-11;1-5(2,3)4/h1-9H,(H3,17,18);1H3,(H,2,3,4)