methyl 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylthiophene-2-carboxylate Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C16H17NO6S2 MolecularWeight: 383.43928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C(=O)OC

InChI

InChI=1S/C16H17NO6S2/c1-10-8-14(24-15(10)16(18)21-2)17-25(19,20)11-4-5-12-13(9-11)23-7-3-6-22-12/h4-5,8-9,17H,3,6-7H2,1-2H3