3-ethyl-2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one

Systemtic Name: 3-ethyl-2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one Openeye Name: 3-ethyl-2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one CAS Name: 3-ethyl-2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one IUPAC Name: 3-ethyl-2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one Traditional Name: 3-ethyl-2-(4-methoxyphenyl)-5H-1,5-benzothiazepin-4-one Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=C(SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H17NO2S/c1-3-14-17(12-8-10-13(21-2)11-9-12)22-16-7-5-4-6-15(16)19-18(14)20/h4-11H,3H2,1-2H3,(H,19,20)