ethyl 5-[3-(3-bromophenyl)prop-2-enoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[3-(3-bromophenyl)prop-2-enoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(3-bromophenyl)prop-2-enoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-(3-bromophenyl)-1-oxoprop-2-enyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(3-bromophenyl)prop-2-enoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[3-(3-bromophenyl)acryloyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C=CC2=CC(=CC=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C=CC2=CC(=CC=C2)Br)C

InChI

InChI=1S/C17H16BrNO3S/c1-3-22-17(21)16-11(2)9-15(23-16)19-14(20)8-7-12-5-4-6-13(18)10-12/h4-10H,3H2,1-2H3,(H,19,20)