ethyl 2-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H21NO3S3 MolecularWeight: 407.56994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C3SCCS3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C3SCCS3)C(=O)OCC

InChI

InChI=1S/C19H21NO3S3/c1-3-14-11-15(18(22)23-4-2)17(26-14)20-16(21)12-5-7-13(8-6-12)19-24-9-10-25-19/h5-8,11,19H,3-4,9-10H2,1-2H3,(H,20,21)