2-(3,5-dimethoxyphenyl)-7-ethoxy-5-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(3,5-dimethoxyphenyl)-7-ethoxy-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(3,5-dimethoxyphenyl)-7-ethoxy-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(3,5-dimethoxyphenyl)-7-ethoxy-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(3,5-dimethoxyphenyl)-7-ethoxy-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(3,5-dimethoxyphenyl)-7-ethoxy-5-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC(=CC(=C3)OC)OC)C4=CC=CS4

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC(=CC(=C3)OC)OC)C4=CC=CS4

InChI

InChI=1S/C22H21N3O3S/c1-4-28-15-7-8-19-18(13-15)21(20-6-5-9-29-20)24-25-22(23-19)14-10-16(26-2)12-17(11-14)27-3/h5-13,24H,4H2,1-3H3