propan-2-yl 5-aminocarbonyl-4-methyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 5-aminocarbonyl-4-methyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: isopropyl 5-carbamoyl-2-[[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-carbamoyl-4-methyl-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C[NH+]2CCN(CC2)CC=CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C[NH+]2CCN(CC2)C/C=C/C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C25H32N4O4S/c1-17(2)33-25(32)21-18(3)22(23(26)31)34-24(21)27-20(30)16-29-14-12-28(13-15-29)11-7-10-19-8-5-4-6-9-19/h4-10,17H,11-16H2,1-3H3,(H2,26,31)(H,27,30)/p+1/b10-7+