propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: propyl 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-4-(4-sec-butylphenyl)thiophene-3-carboxylate CAS Name: 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 4-(4-butan-2-ylphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-nitrophenyl)acryloyl]amino]-4-(4-sec-butylphenyl)thiophene-3-carboxylic acid propyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)CC)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C(C)CC)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H28N2O5S/c1-4-15-34-27(31)25-23(21-12-10-20(11-13-21)18(3)5-2)17-35-26(25)28-24(30)14-9-19-7-6-8-22(16-19)29(32)33/h6-14,16-18H,4-5,15H2,1-3H3,(H,28,30)/b14-9+