methyl 4-[[3-chloranyl-6-(N'-propan-2-ylcarbamimidoyl)-1-benzothiophen-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[3-chloranyl-6-(N'-propan-2-ylcarbamimidoyl)-1-benzothiophen-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-chloro-6-(N'-isopropylcarbamimidoyl)benzothiophene-2-carbonyl]amino]benzoate CAS Name: 4-[[[6-[amino(propan-2-ylimino)methyl]-3-chloro-1-benzothiophen-2-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-chloro-6-(N'-propan-2-ylcarbamimidoyl)-1-benzothiophene-2-carbonyl]amino]benzoate Traditional Name: 4-[[3-chloro-6-(N'-isopropylamidino)benzothiophene-2-carbonyl]amino]benzoic acid methyl ester Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(C1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=CC=C(C=C3)C(=O)OC)Cl)N

Isomeric SMILES

CC(C)N=C(C1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=CC=C(C=C3)C(=O)OC)Cl)N

InChI

InChI=1S/C21H20ClN3O3S/c1-11(2)24-19(23)13-6-9-15-16(10-13)29-18(17(15)22)20(26)25-14-7-4-12(5-8-14)21(27)28-3/h4-11H,1-3H3,(H2,23,24)(H,25,26)