dimethyl 5-azanyl-3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[2-[(2-methyl-4-thiazolyl)methylthio]phenyl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-[(2-methylthiazol-4-yl)methylthio]benzoyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H20N2O6S3 MolecularWeight: 492.5883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C21H20N2O6S3/c1-11-23-12(9-30-11)10-31-15-7-5-4-6-13(15)19(24)29-8-14-16(20(25)27-2)18(22)32-17(14)21(26)28-3/h4-7,9H,8,10,22H2,1-3H3