2-diethylaminoethyl 4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate hydrochloride Openeye Name: 2-diethylaminoethyl 4-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]benzoate hydrochloride CAS Name: 4-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]benzoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 4-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate hydrochloride Traditional Name: 4-[[(E)-3-(2-thienyl)acryloyl]amino]benzoic acid 2-diethylaminoethyl ester hydrochloride Formula: C20H25ClN2O3S MolecularWeight: 408.9421

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC=CS2.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CS2.Cl

InChI

InChI=1S/C20H24N2O3S.ClH/c1-3-22(4-2)13-14-25-20(24)16-7-9-17(10-8-16)21-19(23)12-11-18-6-5-15-26-18;/h5-12,15H,3-4,13-14H2,1-2H3,(H,21,23);1H/b12-11+;