methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromobenzoyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-bromophenyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromobenzoyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-bromobenzoyl)amino]-4-methyl-5-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C22H18BrNO5S MolecularWeight: 488.35102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrNO5S/c1-12-18(10-13-3-8-16-17(9-13)29-11-28-16)30-21(19(12)22(26)27-2)24-20(25)14-4-6-15(23)7-5-14/h3-9H,10-11H2,1-2H3,(H,24,25)