2-(1,3-benzodioxol-5-ylmethylideneamino)-5-(3,4-dimethoxyphenyl)-4-methyl-thiophene-3-carbonitrile

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylideneamino)-5-(3,4-dimethoxyphenyl)-4-methyl-thiophene-3-carbonitrile Openeye Name: 2-(1,3-benzodioxol-5-ylmethyleneamino)-5-(3,4-dimethoxyphenyl)-4-methyl-thiophene-3-carbonitrile CAS Name: 2-(1,3-benzodioxol-5-ylmethylideneamino)-5-(3,4-dimethoxyphenyl)-4-methyl-3-thiophenecarbonitrile IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylideneamino)-5-(3,4-dimethoxyphenyl)-4-methylthiophene-3-carbonitrile Traditional Name: 5-(3,4-dimethoxyphenyl)-4-methyl-2-(piperonylideneamino)thiophene-3-carbonitrile Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)N=CC2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)N=CC2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H18N2O4S/c1-13-16(10-23)22(24-11-14-4-6-18-20(8-14)28-12-27-18)29-21(13)15-5-7-17(25-2)19(9-15)26-3/h4-9,11H,12H2,1-3H3