methyl 4-[[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]carbamoyl]benzoate CAS Name: 4-[[[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]carbamoyl]benzoate Traditional Name: 4-[(3-cyano-4-methyl-5-piperonyl-2-thienyl)carbamoyl]benzoic acid methyl ester Formula: C23H18N2O5S MolecularWeight: 434.46442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)C(=O)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)C(=O)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H18N2O5S/c1-13-17(11-24)22(25-21(26)15-4-6-16(7-5-15)23(27)28-2)31-20(13)10-14-3-8-18-19(9-14)30-12-29-18/h3-9H,10,12H2,1-2H3,(H,25,26)