methyl 2-[[4-(ethoxycarbothioylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[[4-(ethoxycarbothioylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[[4-(ethoxycarbothioylsulfanylmethyl)-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoate CAS Name: 2-[[[[4-[[[ethoxy(sulfanylidene)methyl]thio]methyl]-6-methoxy-2-pyrimidinyl]amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(ethoxycarbothioylsulfanylmethyl)-6-methoxypyrimidin-2-yl]carbamoylsulfamoyl]benzoate Traditional Name: 2-[[4-[(ethoxycarbothioylthio)methyl]-6-methoxy-pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid methyl ester Formula: C18H20N4O7S3 MolecularWeight: 500.569

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)OC

Isomeric SMILES

CCOC(=S)SCC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)OC

InChI

InChI=1S/C18H20N4O7S3/c1-4-29-18(30)31-10-11-9-14(27-2)20-16(19-11)21-17(24)22-32(25,26)13-8-6-5-7-12(13)15(23)28-3/h5-9H,4,10H2,1-3H3,(H2,19,20,21,22,24)