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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC(=C(C=C4)OC)OC

InChI

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