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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)COC(=O)/C=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3S/c26-20(23-18-9-10-18)15-28-21(27)11-8-17-14-25(13-16-5-2-1-3-6-16)24-22(17)19-7-4-12-29-19/h1-8,11-12,14,18H,9-10,13,15H2,(H,23,26)/b11-8+