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

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-methylsulfanylphenyl)methylideneamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-methylsulfanylphenyl)methyleneamino]thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[[4-(methylthio)phenyl]methylideneamino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(4-methylsulfanylphenyl)methylideneamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(methylthio)benzylidene]amino]-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H23NO4S2 MolecularWeight: 453.57372

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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(C=C4)SC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)N=CC4=CC=C(C=C4)SC

InChI

InChI=1S/C24H23NO4S2/c1-4-27-24(26)22-19(11-17-7-10-20-21(12-17)29-14-28-20)15(2)31-23(22)25-13-16-5-8-18(30-3)9-6-16/h5-10,12-13H,4,11,14H2,1-3H3