4-(4-propan-2-ylphenyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylic acid

Systemtic Name: 4-(4-propan-2-ylphenyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylic acid Openeye Name: 4-(4-isopropylphenyl)-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid CAS Name: 2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-4-(4-propan-2-ylphenyl)-3-thiophenecarboxylic acid IUPAC Name: 4-(4-propan-2-ylphenyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxylic acid Traditional Name: 4-p-cumenyl-2-[[(E)-3-(2-thienyl)acryloyl]amino]-3-thenoic acid Formula: C21H19NO3S2 MolecularWeight: 397.51046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC(=C2C(=O)O)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H19NO3S2/c1-13(2)14-5-7-15(8-6-14)17-12-27-20(19(17)21(24)25)22-18(23)10-9-16-4-3-11-26-16/h3-13H,1-2H3,(H,22,23)(H,24,25)/b10-9+