ethyl 5-[[4-[cyclopropyl(methyl)sulfamoyl]phenyl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[4-[cyclopropyl(methyl)sulfamoyl]phenyl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[4-[cyclopropyl(methyl)sulfamoyl]benzoyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[[4-[cyclopropyl(methyl)sulfamoyl]phenyl]-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-[cyclopropyl(methyl)sulfamoyl]benzoyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[[4-[cyclopropyl(methyl)sulfamoyl]benzoyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C20H21N3O5S3 MolecularWeight: 479.59284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3CC3)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3CC3)SC#N)C

InChI

InChI=1S/C20H21N3O5S3/c1-4-28-20(25)17-12(2)16(29-11-21)19(30-17)22-18(24)13-5-9-15(10-6-13)31(26,27)23(3)14-7-8-14/h5-6,9-10,14H,4,7-8H2,1-3H3,(H,22,24)