4-azanyl-5-(1,3-benzodioxol-5-ylcarbonyl)-2-[(4-methoxyphenyl)amino]thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-5-(1,3-benzodioxol-5-ylcarbonyl)-2-[(4-methoxyphenyl)amino]thiophene-3-carbonitrile Openeye Name: 4-amino-5-(1,3-benzodioxole-5-carbonyl)-2-(4-methoxyanilino)thiophene-3-carbonitrile CAS Name: 4-amino-5-[1,3-benzodioxol-5-yl(oxo)methyl]-2-(4-methoxyanilino)-3-thiophenecarbonitrile IUPAC Name: 4-amino-5-(1,3-benzodioxole-5-carbonyl)-2-(4-methoxyanilino)thiophene-3-carbonitrile Traditional Name: 4-amino-2-(p-anisidino)-5-piperonyloyl-thiophene-3-carbonitrile Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC4=C(C=C3)OCO4)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC4=C(C=C3)OCO4)N)C#N

InChI

InChI=1S/C20H15N3O4S/c1-25-13-5-3-12(4-6-13)23-20-14(9-21)17(22)19(28-20)18(24)11-2-7-15-16(8-11)27-10-26-15/h2-8,23H,10,22H2,1H3