3-chloranyl-5-(4-methoxyphenyl)-2-thiophen-2-yl-1-benzoxepine

Systemtic Name: 3-chloranyl-5-(4-methoxyphenyl)-2-thiophen-2-yl-1-benzoxepine Openeye Name: 3-chloro-5-(4-methoxyphenyl)-2-(2-thienyl)-1-benzoxepine CAS Name: 3-chloro-5-(4-methoxyphenyl)-2-thiophen-2-yl-1-benzoxepin IUPAC Name: 3-chloro-5-(4-methoxyphenyl)-2-thiophen-2-yl-1-benzoxepine Traditional Name: 3-chloro-5-(4-methoxyphenyl)-2-(2-thienyl)-1-benzoxepin Formula: C21H15ClO2S MolecularWeight: 366.8606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C(OC3=CC=CC=C32)C4=CC=CS4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=C(OC3=CC=CC=C32)C4=CC=CS4)Cl

InChI

InChI=1S/C21H15ClO2S/c1-23-15-10-8-14(9-11-15)17-13-18(22)21(20-7-4-12-25-20)24-19-6-3-2-5-16(17)19/h2-13H,1H3