methyl 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)benzoate

Systemtic Name: methyl 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)benzoate Openeye Name: methyl 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)benzoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)benzoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)benzoic acid methyl ester Formula: C18H19NO2S MolecularWeight: 313.41396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCSC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCSC3=CC=CC=C32

InChI

InChI=1S/C18H19NO2S/c1-21-18(20)15-9-7-14(8-10-15)13-19-11-4-12-22-17-6-3-2-5-16(17)19/h2-3,5-10H,4,11-13H2,1H3