dimethyl 5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H19NO6S3 MolecularWeight: 441.54156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCCSC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCCSC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C18H19NO6S3/c1-11-14(16(20)24-2)18(27-15(11)17(21)25-3)28(22,23)19-9-6-10-26-13-8-5-4-7-12(13)19/h4-5,7-8H,6,9-10H2,1-3H3