ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(5-methyl-2-thienyl)methyleneamino]thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(5-methyl-2-thiophenyl)methylideneamino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(5-methylthiophen-2-yl)methylideneamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(5-methyl-2-thienyl)methyleneamino]-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)N=CC4=CC=C(S4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)N=CC4=CC=C(S4)C

InChI

InChI=1S/C22H21NO4S2/c1-4-25-22(24)20-17(9-15-6-8-18-19(10-15)27-12-26-18)14(3)29-21(20)23-11-16-7-5-13(2)28-16/h5-8,10-11H,4,9,12H2,1-3H3