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

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(cyclooctylamino)-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-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-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-(cyclooctylamino)-2-keto-ethyl] ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c30-24(27-21-10-5-2-1-3-6-11-21)19-32-25(31)16-15-20-18-29(22-12-7-4-8-13-22)28-26(20)23-14-9-17-33-23/h4,7-9,12-18,21H,1-3,5-6,10-11,19H2,(H,27,30)