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

Systemtic Name: methyl 2-[(4-bromophenyl)carbonylamino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-bromobenzoyl)amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromobenzoyl)amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[(4-bromobenzoyl)amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C16H16BrNO3S MolecularWeight: 382.27214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)Br)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)Br)C(=O)OC

InChI

InChI=1S/C16H16BrNO3S/c1-3-4-12-9-13(16(20)21-2)15(22-12)18-14(19)10-5-7-11(17)8-6-10/h5-9H,3-4H2,1-2H3,(H,18,19)