ethyl 4-aminocarbonyl-5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-carbamoyl-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-4-carbamoyl-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-4-carbamoyl-3-methylthiophene-2-carboxylate Traditional Name: 5-[[(E)-3-(4-bromophenyl)acryloyl]amino]-4-carbamoyl-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O4S/c1-3-25-18(24)15-10(2)14(16(20)23)17(26-15)21-13(22)9-6-11-4-7-12(19)8-5-11/h4-9H,3H2,1-2H3,(H2,20,23)(H,21,22)/b9-6+