propyl 2-[(4-bromophenyl)carbonylamino]-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylate

Systemtic Name: propyl 2-[(4-bromophenyl)carbonylamino]-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylate Openeye Name: propyl 2-[(4-bromobenzoyl)amino]-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-5-methyl-4-(4-propylphenyl)-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[(4-bromobenzoyl)amino]-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(4-bromobenzoyl)amino]-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylic acid propyl ester Formula: C25H26BrNO3S MolecularWeight: 500.44784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCCC)NC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCCC)NC(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C25H26BrNO3S/c1-4-6-17-7-9-18(10-8-17)21-16(3)31-24(22(21)25(29)30-15-5-2)27-23(28)19-11-13-20(26)14-12-19/h7-14H,4-6,15H2,1-3H3,(H,27,28)