5-(4-aminophenyl)-1-methoxy-5H-benzo[b][1]benzothiepin-6-one

Systemtic Name: 5-(4-aminophenyl)-1-methoxy-5H-benzo[b][1]benzothiepin-6-one Openeye Name: 5-(4-aminophenyl)-1-methoxy-5H-benzo[b][1]benzothiepin-6-one CAS Name: 5-(4-aminophenyl)-1-methoxy-5H-benzo[b][1]benzothiepin-6-one IUPAC Name: 5-(4-aminophenyl)-1-methoxy-5H-benzo[b][1]benzothiepin-6-one Traditional Name: 5-(4-aminophenyl)-1-methoxy-5H-benzo[b][1]benzothiepin-6-one Formula: C21H17NO2S MolecularWeight: 347.43018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1SC3=CC=CC=C3C(=O)C2C4=CC=C(C=C4)N

Isomeric SMILES

COC1=CC=CC2=C1SC3=CC=CC=C3C(=O)C2C4=CC=C(C=C4)N

InChI

InChI=1S/C21H17NO2S/c1-24-17-7-4-6-16-19(13-9-11-14(22)12-10-13)20(23)15-5-2-3-8-18(15)25-21(16)17/h2-12,19H,22H2,1H3