methyl 2-[2-[4-azanyl-5-(5-chloranylthiophen-2-yl)sulfonyl-pyrimidin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-azanyl-5-(5-chloranylthiophen-2-yl)sulfonyl-pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-amino-5-[(5-chloro-2-thienyl)sulfonyl]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[4-amino-5-[(5-chloro-2-thiophenyl)sulfonyl]-2-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-amino-5-(5-chlorothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[4-amino-5-[(5-chloro-2-thienyl)sulfonyl]pyrimidin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C18H15ClN4O5S3 MolecularWeight: 498.9835

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=C(C(=N2)N)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=C(C(=N2)N)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H15ClN4O5S3/c1-28-17(25)10-4-2-3-5-11(10)22-14(24)9-29-18-21-8-12(16(20)23-18)31(26,27)15-7-6-13(19)30-15/h2-8H,9H2,1H3,(H,22,24)(H2,20,21,23)