ethyl 5-azanyl-3-methyl-4-[2-(phenylsulfonylcarbamoyl)phenyl]sulfanyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-methyl-4-[2-(phenylsulfonylcarbamoyl)phenyl]sulfanyl-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-[2-(benzenesulfonylcarbamoyl)phenyl]sulfanyl-3-methyl-thiophene-2-carboxylate CAS Name: 5-amino-4-[[2-[benzenesulfonamido(oxo)methyl]phenyl]thio]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-[2-(benzenesulfonylcarbamoyl)phenyl]sulfanyl-3-methylthiophene-2-carboxylate Traditional Name: 5-amino-4-[[2-(besylcarbamoyl)phenyl]thio]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H20N2O5S3 MolecularWeight: 476.5889

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)SC2=CC=CC=C2C(=O)NS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)SC2=CC=CC=C2C(=O)NS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O5S3/c1-3-28-21(25)18-13(2)17(19(22)30-18)29-16-12-8-7-11-15(16)20(24)23-31(26,27)14-9-5-4-6-10-14/h4-12H,3,22H2,1-2H3,(H,23,24)