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

Systemtic Name: ethyl 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoate Openeye Name: ethyl 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)benzoic acid ethyl ester Formula: C18H19NO4S2 MolecularWeight: 377.47776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCSC3=CC=CC=C32

InChI

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