[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(2-methoxyethylamino)-2-oxidanylidene-ethyl] (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(2-methoxyethylamino)-2-oxo-ethyl] (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid [2-(2-methoxyethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid [2-keto-2-(2-methoxyethylamino)ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)COC(=O)C=CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

COCCNC(=O)COC(=O)/C=C/C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-27-12-11-22-19(25)15-28-20(26)10-9-16-14-24(17-6-3-2-4-7-17)23-21(16)18-8-5-13-29-18/h2-10,13-14H,11-12,15H2,1H3,(H,22,25)/b10-9+