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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: 3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c25-19(22-16-9-10-16)14-27-20(26)11-8-15-13-24(17-5-2-1-3-6-17)23-21(15)18-7-4-12-28-18/h1-8,11-13,16H,9-10,14H2,(H,22,25)