3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-4,5-dimethyl-benzoate

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-4,5-dimethyl-benzoate Openeye Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-4,5-dimethyl-benzoate CAS Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-4,5-dimethylbenzoate IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-4,5-dimethylbenzoate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-4,5-dimethyl-benzoate Formula: C18H18NO4S2- MolecularWeight: 376.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)N2CCCSC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)N2CCCSC3=CC=CC=C32)C

InChI

InChI=1S/C18H19NO4S2/c1-12-10-14(18(20)21)11-17(13(12)2)25(22,23)19-8-5-9-24-16-7-4-3-6-15(16)19/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,20,21)/p-1