ethyl 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(5-methyl-2-thienyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(5-methyl-2-thiophenyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(5-methyl-2-thienyl)acryloyl]amino]benzoic acid ethyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(S2)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(S2)C)/C#N

InChI

InChI=1S/C18H16N2O3S/c1-3-23-18(22)13-5-7-15(8-6-13)20-17(21)14(11-19)10-16-9-4-12(2)24-16/h4-10H,3H2,1-2H3,(H,20,21)/b14-10+