diethyl 5-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H30N2O7S2 MolecularWeight: 522.6342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H30N2O7S2/c1-4-32-23(28)19-16(3)20(24(29)33-5-2)34-22(19)25-21(27)17-11-10-12-18(15-17)35(30,31)26-13-8-6-7-9-14-26/h10-12,15H,4-9,13-14H2,1-3H3,(H,25,27)