2-[[(E)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: 2-[[(E)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzoate Openeye Name: 2-[[(E)-2-cyano-3-(3-methyl-2-thienyl)prop-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-2-cyano-3-(3-methyl-2-thiophenyl)-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 2-[[(E)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]benzoate Traditional Name: 2-[[(E)-2-cyano-3-(3-methyl-2-thienyl)acryloyl]amino]benzoate Formula: C16H11N2O3S- MolecularWeight: 311.33514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC1=C(SC=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C16H12N2O3S/c1-10-6-7-22-14(10)8-11(9-17)15(19)18-13-5-3-2-4-12(13)16(20)21/h2-8H,1H3,(H,18,19)(H,20,21)/p-1/b11-8+