3-chloranyl-5-(2-methylphenyl)-2-thiophen-2-yl-1-benzoxepine

Systemtic Name: 3-chloranyl-5-(2-methylphenyl)-2-thiophen-2-yl-1-benzoxepine Openeye Name: 3-chloro-5-(o-tolyl)-2-(2-thienyl)-1-benzoxepine CAS Name: 3-chloro-5-(2-methylphenyl)-2-thiophen-2-yl-1-benzoxepin IUPAC Name: 3-chloro-5-(2-methylphenyl)-2-thiophen-2-yl-1-benzoxepine Traditional Name: 3-chloro-5-(o-tolyl)-2-(2-thienyl)-1-benzoxepin Formula: C21H15ClOS MolecularWeight: 350.8612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=C(OC3=CC=CC=C32)C4=CC=CS4)Cl

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=C(OC3=CC=CC=C32)C4=CC=CS4)Cl

InChI

InChI=1S/C21H15ClOS/c1-14-7-2-3-8-15(14)17-13-18(22)21(20-11-6-12-24-20)23-19-10-5-4-9-16(17)19/h2-13H,1H3