2-(3,4-dimethoxyphenyl)-8-ethoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 2-(3,4-dimethoxyphenyl)-8-ethoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 2-(3,4-dimethoxyphenyl)-8-ethoxy-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(3,4-dimethoxyphenyl)-8-ethoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 2-(3,4-dimethoxyphenyl)-8-ethoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 2-(3,4-dimethoxyphenyl)-8-ethoxy-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OC)OC)C4=CC=CS4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC(=C(C=C3)OC)OC)C4=CC=CS4

InChI

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