propan-2-yl 3-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-2-methyl-benzoate

Systemtic Name: propan-2-yl 3-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-2-methyl-benzoate Openeye Name: isopropyl 3-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-2-methyl-benzoate CAS Name: 3-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-2-methylbenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-2-methylbenzoate Traditional Name: 3-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-2-methyl-benzoic acid isopropyl ester Formula: C23H24N2O4S3 MolecularWeight: 488.64266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)OC(C)C)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

Isomeric SMILES

CC1=C(C=CC=C1C(=O)OC(C)C)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

InChI

InChI=1S/C23H24N2O4S3/c1-13(2)29-22(26)18-10-6-9-17(14(18)3)15-7-5-8-16(11-15)32(27,28)20-12-19(21(24)25)31-23(20)30-4/h5-13H,1-4H3,(H3,24,25)