ethyl 2-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-4-isobutyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO3S3 MolecularWeight: 435.6231

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C21H25NO3S3/c1-4-25-20(24)17-16(11-13(2)3)12-28-19(17)22-18(23)14-5-7-15(8-6-14)21-26-9-10-27-21/h5-8,12-13,21H,4,9-11H2,1-3H3,(H,22,23)